data_1wu0_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 1wu0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' CD1' ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.494 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.494 ' CG2' HG23 ' A' ' 31' ' ' ILE . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.426 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.443 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.477 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 10' ' ' ILE . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD13 ' A' ' 10' ' ' ILE . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 31' ' ' ILE . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.504 ' CB ' HG21 ' A' ' 31' ' ' ILE . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.517 HG12 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 40' ' ' LEU . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 HG23 ' CA ' ' A' ' 17' ' ' LEU . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 67' ' ' PHE . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.403 ' CD1' HG12 ' A' ' 63' ' ' VAL . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' HG21 ' A' ' 68' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CA ' HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG21 ' CG2' ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' CD1' ' A' ' 34' ' ' ILE . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' HG21 ' A' ' 31' ' ' ILE . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.461 HG21 ' CA ' ' A' ' 17' ' ' LEU . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.511 ' CG2' ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CA ' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD22 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 34' ' ' ILE . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.498 ' CB ' HG23 ' A' ' 31' ' ' ILE . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.526 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CB ' HD13 ' A' ' 40' ' ' LEU . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 34' ' ' ILE . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' ' CB ' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 ' CG2' HG21 ' A' ' 31' ' ' ILE . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 68' ' ' ILE . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.516 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' CB ' HG13 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 HG13 ' CB ' ' A' ' 35' ' ' ALA . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.516 ' CB ' HG23 ' A' ' 31' ' ' ILE . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.515 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.479 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HG22 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 31' ' ' ILE . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.405 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' HG22 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.408 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 HG23 ' CB ' ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' ILE . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 34' ' ' ILE . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.501 ' CB ' HG23 ' A' ' 31' ' ' ILE . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.496 HD13 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.474 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.462 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HG11 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 34' ' ' ILE . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.489 ' CG2' HG22 ' A' ' 31' ' ' ILE . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 6' ' ' LEU . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 65' ' ' PHE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 31' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 34' ' ' ILE . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.489 ' CG2' HG23 ' A' ' 31' ' ' ILE . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.501 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.49 HG13 ' CG2' ' A' ' 47' ' ' THR . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 34' ' ' ILE . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.49 ' CG2' HG13 ' A' ' 31' ' ' ILE . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' HG22 ' A' ' 68' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' HG21 ' A' ' 31' ' ' ILE . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.474 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.478 ' CB ' HG22 ' A' ' 31' ' ' ILE . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.492 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG22 ' CA ' ' A' ' 17' ' ' LEU . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.421 ' N ' HG21 ' A' ' 68' ' ' ILE . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.545 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.482 HG22 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CB ' HD22 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 31' ' ' ILE . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' CG1' ' CB ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.43 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.506 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 31' ' ' ILE . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.506 ' CG2' HG23 ' A' ' 31' ' ' ILE . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CD1' HD12 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 65' ' ' PHE . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.47 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 28' ' ' SER . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' A' ' 44' ' ' LEU . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.487 ' CB ' HG21 ' A' ' 31' ' ' ILE . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 21' ' ' ILE . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' HG22 ' A' ' 68' ' ' ILE . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' LEU . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.503 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.491 ' CB ' ' CG1' ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' CD2' HD12 ' A' ' 34' ' ' ILE . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 ' CA ' ' A' ' 17' ' ' LEU . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.536 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.477 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' CG2' ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 35' ' ' ALA . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CG2' ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ARG . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CG ' HG23 ' A' ' 43' ' ' VAL . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 40' ' ' LEU . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.501 ' CG2' HG23 ' A' ' 31' ' ' ILE . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.526 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.435 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ARG . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 67' ' ' PHE . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' N ' HG22 ' A' ' 68' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.447 ' C ' HG23 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 27' ' ' VAL . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 44' ' ' LEU . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.475 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.508 ' CD1' HD13 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.488 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' LEU . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.503 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' CG1' ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 34' ' ' ILE . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 31' ' ' ILE . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.46 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.405 ' HA2' ' CG1' ' A' ' 27' ' ' VAL . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' ILE . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' CB ' HG11 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.495 ' CB ' HG21 ' A' ' 31' ' ' ILE . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 69' ' ' TYR . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.478 ' CD1' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 54' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.43 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG1' ' CG2' ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.533 ' CG2' ' CG1' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.4 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' LEU . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 40' ' ' LEU . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 34' ' ' ILE . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 34' ' ' ILE . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.513 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.409 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.521 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' HG21 ' A' ' 68' ' ' ILE . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.466 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 54' ' ' LEU . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CD1' HD22 ' A' ' 40' ' ' LEU . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 31' ' ' ILE . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.486 HD13 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.542 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.46 HG12 ' CE1' ' A' ' 65' ' ' PHE . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 54' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 47' ' ' THR . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 34' ' ' ILE . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.462 ' CG1' HD11 ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.423 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' N ' ' A' ' 44' ' ' LEU . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CB ' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.438 ' N ' HG22 ' A' ' 47' ' ' THR . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.544 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.546 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -168.67 -169.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' HA3' ' CD1' ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.461 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.412 HG23 ' N ' ' A' ' 31' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.494 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.414 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.426 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.422 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' CG2' ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.494 ' CG2' HG23 ' A' ' 31' ' ' ILE . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.426 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.443 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.477 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.455 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.458 ' CD2' HD13 ' A' ' 10' ' ' ILE . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.532 0.206 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.91 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.49 ' CD2' HD13 ' A' ' 10' ' ' ILE . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.462 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 21' ' ' ILE . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.461 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' HG ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 31' ' ' ILE . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.515 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.532 0.206 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 176.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.49 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 HG13 ' CD1' ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.504 ' CB ' HG21 ' A' ' 31' ' ' ILE . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.527 0.203 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.93 -169.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 HG12 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.476 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.487 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' CD1' ' CD2' ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' CD1' ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 40' ' ' LEU . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.475 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.495 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 HG23 ' CA ' ' A' ' 17' ' ' LEU . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.403 HG12 ' CD1' ' A' ' 67' ' ' PHE . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.517 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.403 ' CD1' HG12 ' A' ' 63' ' ' VAL . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' HG21 ' A' ' 68' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.454 0.169 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.03 179.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.516 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.511 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.516 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD1' HG22 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' CA ' HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG21 ' CG2' ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG13 ' CD1' ' A' ' 34' ' ' ILE . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 ' CG2' HG21 ' A' ' 31' ' ' ILE . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.453 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.461 HG21 ' CA ' ' A' ' 17' ' ' LEU . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.511 ' CG2' ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.485 0.183 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.61 -171.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' CA ' HG23 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.453 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.498 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' CB ' HD22 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 34' ' ' ILE . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.498 ' CB ' HG23 ' A' ' 31' ' ' ILE . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.526 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.526 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.402 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -175.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.473 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.406 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' CG1' ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' ' CG2' ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.479 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.47 HD13 ' CD2' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' CB ' HD13 ' A' ' 40' ' ' LEU . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' CD2' HD13 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 34' ' ' ILE . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.424 ' HG ' ' CB ' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 ' CG2' HG21 ' A' ' 31' ' ' ILE . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.425 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.479 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 21' ' ' ILE . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.479 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 68' ' ' ILE . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.49 0.186 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.32 -163.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.956 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.479 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' N ' HG21 ' A' ' 21' ' ' ILE . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.516 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' CB ' HG13 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 HG13 ' CB ' ' A' ' 35' ' ' ALA . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.516 ' CB ' HG23 ' A' ' 31' ' ' ILE . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.515 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.481 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.517 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.479 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' CD2' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.541 0.21 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.74 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.458 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG22 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.469 ' CD1' HG13 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG13 ' CD1' ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.404 ' O ' ' OG1' ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 31' ' ' ILE . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.414 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.405 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.492 0.186 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -176.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.482 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' C ' HG22 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 22' ' ' GLY . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.408 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 HG23 ' CB ' ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' N ' HG22 ' A' ' 31' ' ' ILE . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.466 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 34' ' ' ILE . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.501 ' CB ' HG23 ' A' ' 31' ' ' ILE . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 HG22 ' C ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.439 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.482 HG23 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.58 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.01 -174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.496 HD13 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.474 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.462 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG22 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' CD1' HG13 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' CB ' HG11 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.45 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 34' ' ' ILE . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.489 ' CG2' HG22 ' A' ' 31' ' ' ILE . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.504 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.521 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG21 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CD2' HD13 ' A' ' 10' ' ' ILE . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.509 0.195 . . . . 0.0 110.987 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.14 -177.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 6' ' ' LEU . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 65' ' ' PHE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.457 ' CA ' HG21 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 31' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.489 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 31' ' ' ILE . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.465 ' CD1' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 34' ' ' ILE . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.489 ' CG2' HG23 ' A' ' 31' ' ' ILE . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' HG23 ' A' ' 68' ' ' ILE . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 -155.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.469 HD12 ' CD2' ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.455 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.49 HG13 ' CG2' ' A' ' 47' ' ' THR . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' N ' HG13 ' A' ' 31' ' ' ILE . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.475 HD11 ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 34' ' ' ILE . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.49 ' CG2' HG13 ' A' ' 31' ' ' ILE . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.48 HG22 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.478 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.408 ' N ' HG22 ' A' ' 68' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.67 -170.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.493 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.481 ' CD1' HD12 ' A' ' 54' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.499 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.433 ' N ' HG23 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.499 ' CG2' HG21 ' A' ' 31' ' ' ILE . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.518 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.536 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.503 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB3' ' A' ' 9' ' ' ALA . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.49 0.185 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.499 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.488 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.474 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.474 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.478 HG22 ' CB ' ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 ' O ' ' CG2' ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.478 ' CB ' HG22 ' A' ' 31' ' ' ILE . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.492 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG22 ' CA ' ' A' ' 17' ' ' LEU . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.421 ' N ' HG21 ' A' ' 68' ' ' ILE . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.466 0.174 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.4 -151.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.545 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' O ' ' CG2' ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.482 HG22 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.429 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' CB ' HD22 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.593 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' HG22 ' A' ' 31' ' ' ILE . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.513 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' CG1' ' CB ' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.43 ' N ' ' CG2' ' A' ' 68' ' ' ILE . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.526 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.54 -175.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 HD11 ' N ' ' A' ' 62' ' ' GLY . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.45 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.506 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' N ' HG22 ' A' ' 31' ' ' ILE . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.433 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.482 ' CD2' HG22 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.482 HG22 ' CD2' ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.506 ' CG2' HG23 ' A' ' 31' ' ' ILE . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.462 ' CD1' HD12 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.82 -163.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' A' ' 65' ' ' PHE . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.47 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.495 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.48 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' CG ' ' O ' ' A' ' 28' ' ' SER . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.423 ' HB3' ' N ' ' A' ' 44' ' ' LEU . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' N ' ' HB3' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.487 ' CB ' HG21 ' A' ' 31' ' ' ILE . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.477 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.496 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' A' ' 21' ' ' ILE . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.483 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.412 ' N ' HG22 ' A' ' 68' ' ' ILE . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -175.64 148.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.513 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.422 ' O ' ' CB ' ' A' ' 17' ' ' LEU . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.503 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.457 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.491 ' CB ' ' CG1' ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' O ' ' A' ' 36' ' ' ARG . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' CD2' HD12 ' A' ' 34' ' ' ILE . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 21' ' ' ILE . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.51 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.51 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 ' CA ' ' A' ' 17' ' ' LEU . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.514 0.197 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.62 -174.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' CD2' ' CD1' ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' CB ' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.419 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' CG2' ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 HG13 ' N ' ' A' ' 35' ' ' ALA . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.477 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.438 ' N ' HG21 ' A' ' 47' ' ' THR . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.505 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.477 ' CG2' ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.508 0.194 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -156.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.49 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.574 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.487 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.487 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 35' ' ' ALA . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.445 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 36' ' ' ARG . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' CG ' HG23 ' A' ' 43' ' ' VAL . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 HG23 ' CG ' ' A' ' 40' ' ' LEU . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.501 ' CG2' HG23 ' A' ' 31' ' ' ILE . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.526 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.574 ' CD2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.72 -158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.487 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.493 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 HG13 ' N ' ' A' ' 35' ' ' ALA . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 36' ' ' ARG . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.483 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.44 HG13 ' CD1' ' A' ' 67' ' ' PHE . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.44 ' CD1' HG13 ' A' ' 63' ' ' VAL . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.487 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' N ' HG22 ' A' ' 68' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -153.25 -164.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 HD13 ' CD1' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 HD11 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.471 ' CD1' HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.472 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.447 ' C ' HG23 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CG2' ' HA ' ' A' ' 27' ' ' VAL . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.447 HG23 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 43' ' ' VAL . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 47' ' ' THR . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 44' ' ' LEU . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.518 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.475 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.49 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' N ' HD11 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.508 ' CD1' HD13 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.503 0.192 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.28 -164.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.055 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.488 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.467 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.433 ' O ' ' CB ' ' A' ' 17' ' ' LEU . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.496 ' CG2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.503 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.483 HD12 ' CG1' ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' HD12 ' A' ' 34' ' ' ILE . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.503 ' CG2' HG23 ' A' ' 31' ' ' ILE . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.415 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.46 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' ILE . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.495 0.188 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -167.94 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 HD11 ' CD1' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 21' ' ' ILE . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.405 ' HA2' ' CG1' ' A' ' 27' ' ' VAL . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG21 ' CB ' ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 31' ' ' ILE . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 31' ' ' ILE . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' CB ' HG11 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.444 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 40' ' ' LEU . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.495 ' CB ' HG21 ' A' ' 31' ' ' ILE . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.437 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.491 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 69' ' ' TYR . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.478 ' CD1' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.561 0.22 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -162.45 172.37 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' CB ' HG22 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.465 HD12 ' CD1' ' A' ' 54' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.477 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.43 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.462 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG1' ' CG2' ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' CB ' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD22 ' CB ' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.476 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.533 ' CG2' ' CG1' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.476 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.4 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.502 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.461 HG22 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.46 -176.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' LEU . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.454 ' HB ' ' CD1' ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.513 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' CD1' HD21 ' A' ' 40' ' ' LEU . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 34' ' ' ILE . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' ' 36' ' ' ARG . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 HD21 ' CD1' ' A' ' 34' ' ' ILE . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.513 ' CG2' HG23 ' A' ' 31' ' ' ILE . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.461 ' CD1' ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.409 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CG1' ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.521 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CD2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' N ' HG21 ' A' ' 68' ' ' ILE . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.538 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.13 -169.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.495 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' HA ' ' CG2' ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.486 ' CD1' HD13 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.466 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 54' ' ' LEU . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG21 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 31' ' ' ILE . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CD1' HD22 ' A' ' 40' ' ' LEU . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 HD22 ' CD1' ' A' ' 34' ' ' ILE . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.48 ' CG2' HG21 ' A' ' 31' ' ' ILE . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.486 HD13 ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.508 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.542 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.73 177.3 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 HG12 ' CE1' ' A' ' 65' ' ' PHE . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' CA ' HG22 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.485 HG13 ' CD1' ' A' ' 54' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 47' ' ' THR . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 HD13 ' CD2' ' A' ' 40' ' ' LEU . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' HB2' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.478 ' CD2' HD13 ' A' ' 34' ' ' ILE . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.462 ' CG1' HD11 ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.414 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.493 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.478 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA2' ' CD2' ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.485 ' CD1' HG13 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.464 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.485 0.184 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -140.39 89.27 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.504 ' CD2' ' C ' ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.423 ' CB ' HG23 ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.454 HD11 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.44 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' CD2' ' HA2' ' A' ' 22' ' ' GLY . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.438 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG12 ' CG2' ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.42 ' HB3' ' N ' ' A' ' 44' ' ' LEU . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' CB ' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.464 ' HG ' ' CD1' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' A' ' 40' ' ' LEU . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.438 ' N ' HG22 ' A' ' 47' ' ' THR . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.41 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.501 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.544 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' O ' ' CD1' ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.546 ' N ' ' CD ' ' A' ' 59' ' ' PRO . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG23 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.403 ' N ' HG21 ' A' ' 68' ' ' ILE . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.651 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 13' ' ' GLY . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.875 HD11 ' HA ' ' A' ' 55' ' ' VAL . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.846 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 30' ' ' THR . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 31' ' ' ILE . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.8 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.991 ' O ' HG23 ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.991 HG23 ' O ' ' A' ' 43' ' ' VAL . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.777 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' MET . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.846 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.875 ' HA ' HD11 ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.757 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HD13 ' A' ' 68' ' ' ILE . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CE1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.581 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.067 HD13 HD13 ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' ILE . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.619 HG23 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.04 HD11 HG11 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.624 ' HB2' HD23 ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 34' ' ' ILE . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.723 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 48' ' ' MET . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 51' ' ' GLY . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.673 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.067 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 59' ' ' PRO . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.78 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.937 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.854 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 22' ' ' GLY . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 31' ' ' ILE . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.921 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HG ' ' A' ' 44' ' ' LEU . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.733 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.921 HG11 HD11 ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.591 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 48' ' ' MET . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.78 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 55' ' ' VAL . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.879 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 23' ' ' ASN . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.575 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' SER . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.682 ' CB ' HD13 ' A' ' 40' ' ' LEU . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 35' ' ' ALA . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.743 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.733 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 13' ' ' GLY . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.749 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.629 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD11 HG23 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.888 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' ILE . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HA ' HG21 ' A' ' 47' ' ' THR . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.886 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.886 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 47' ' ' THR . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 43' ' ' VAL . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' MET . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 60' ' ' ILE . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 64' ' ' VAL . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' GLY . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' ILE . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' C ' HD13 ' A' ' 68' ' ' ILE . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.725 HD22 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.693 HD13 HD13 ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.958 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.806 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.78 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 40' ' ' LEU . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 47' ' ' THR . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' MET . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' HD11 ' A' ' 21' ' ' ILE . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.525 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.867 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' ALA . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.721 HD12 HD12 ' A' ' 54' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.77 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.093 HD12 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.787 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.093 HD22 HD12 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 47' ' ' THR . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 43' ' ' VAL . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.818 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 21' ' ' ILE . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.957 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 64' ' ' VAL . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 70' ' ' LEU . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.965 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.902 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' HA2' ' A' ' 22' ' ' GLY . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HG22 ' A' ' 31' ' ' ILE . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.565 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.961 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 47' ' ' THR . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.902 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' PRO . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.813 HD13 HD13 ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 31' ' ' ILE . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.889 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 48' ' ' MET . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.889 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 21' ' ' ILE . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.566 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 11' ' ' ALA . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HD13 ' A' ' 58' ' ' LEU . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.912 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' ILE . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' HG21 ' A' ' 47' ' ' THR . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.922 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 47' ' ' THR . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' MET . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HA ' HD11 ' A' ' 21' ' ' ILE . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' ILE . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.924 HD13 HD13 ' A' ' 21' ' ' ILE . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.695 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' PRO . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.566 HG21 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.045 HD13 HD13 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.987 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HA ' HG21 ' A' ' 47' ' ' THR . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.034 HD12 HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.843 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD22 HD12 ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' HG23 ' A' ' 47' ' ' THR . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.045 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 10' ' ' ILE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.86 HD13 HD13 ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.568 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.937 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 40' ' ' LEU . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.956 ' O ' HG23 ' A' ' 47' ' ' THR . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.707 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 48' ' ' MET . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.707 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 HD13 ' A' ' 21' ' ' ILE . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' PRO . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.451 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' A' ' 6' ' ' LEU . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 54' ' ' LEU . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' HG21 ' A' ' 50' ' ' ILE . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 47' ' ' THR . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.869 ' HB2' HD13 ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 1.027 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 48' ' ' MET . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.027 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 21' ' ' ILE . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.897 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.726 ' HB2' HD11 ' A' ' 10' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.499 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.874 ' CG1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 31' ' ' ILE . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 34' ' ' ILE . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.965 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 48' ' ' MET . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.965 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.874 HD13 ' CG1' ' A' ' 21' ' ' ILE . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.984 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.64 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.89 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.648 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.722 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.714 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 40' ' ' LEU . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' C ' HD22 ' A' ' 40' ' ' LEU . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.749 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.597 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 HG13 ' A' ' 21' ' ' ILE . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.694 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 59' ' ' PRO . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' A' ' 6' ' ' LEU . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.908 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.917 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.881 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 23' ' ' ASN . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.584 HG23 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.597 ' CB ' HD23 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.586 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.8 HD12 HG21 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG21 HG21 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.644 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HG13 ' A' ' 21' ' ' ILE . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.917 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' A' ' 6' ' ' LEU . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.567 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.765 HD12 HD12 ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.943 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.585 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 21' ' ' ILE . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 26' ' ' ILE . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 31' ' ' ILE . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.792 HD12 HG11 ' A' ' 43' ' ' VAL . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.775 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.838 HG21 HD23 ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 43' ' ' VAL . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.521 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.765 HD12 HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 59' ' ' PRO . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.567 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CB ' HD11 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.83 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.592 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.971 ' O ' HG23 ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.81 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.592 HD21 ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 31' ' ' ILE . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 47' ' ' THR . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.905 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 34' ' ' ILE . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.905 HG12 ' HB2' ' A' ' 35' ' ' ALA . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 43' ' ' VAL . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.575 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.876 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 48' ' ' MET . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.876 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 51' ' ' GLY . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 59' ' ' PRO . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.553 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.683 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 2' ' ' SER . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.663 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 26' ' ' ILE . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 31' ' ' ILE . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' VAL . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.648 HG23 HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 1.043 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 43' ' ' VAL . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.043 HG12 ' HB2' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.795 ' O ' HG23 ' A' ' 52' ' ' VAL . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.903 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 48' ' ' MET . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.903 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' GLY . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.632 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 59' ' ' PRO . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' ILE . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.55 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.687 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.687 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.892 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.768 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.573 ' HA ' HG22 ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.804 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG11 HD11 ' A' ' 34' ' ' ILE . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.909 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 48' ' ' MET . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 21' ' ' ILE . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 59' ' ' PRO . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.591 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.737 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' ILE . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.877 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.801 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.778 ' CB ' HD13 ' A' ' 40' ' ' LEU . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.877 ' CD2' HD12 ' A' ' 34' ' ' ILE . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' HG23 ' A' ' 47' ' ' THR . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 43' ' ' VAL . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.828 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 48' ' ' MET . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.828 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 21' ' ' ILE . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.963 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.574 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.885 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.774 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 54' ' ' LEU . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' ILE . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 23' ' ' ASN . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 1.025 HD12 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB3' HD13 ' A' ' 40' ' ' LEU . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 35' ' ' ALA . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 ' O ' HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.641 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.861 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 48' ' ' MET . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.861 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' PRO . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 10' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.047 HD13 HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.561 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' HA2' ' A' ' 22' ' ' GLY . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 30' ' ' THR . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 23' ' ' ASN . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.455 ' C ' HG22 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.909 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.817 ' HB2' HD23 ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' HD13 ' A' ' 40' ' ' LEU . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 34' ' ' ILE . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' VAL . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.466 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.047 HD13 HD13 ' A' ' 21' ' ' ILE . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 56' ' ' GLU . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.476 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.659 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.831 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.831 HG22 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.854 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.962 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.854 HD12 ' HA2' ' A' ' 22' ' ' GLY . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 47' ' ' THR . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 43' ' ' VAL . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.963 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 48' ' ' MET . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.963 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 60' ' ' ILE . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' PRO . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.88 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' GLY . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.666 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA2' ' A' ' 22' ' ' GLY . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 26' ' ' ILE . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HD22 ' A' ' 40' ' ' LEU . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.855 ' HB2' HD13 ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG12 ' HB2' ' A' ' 35' ' ' ALA . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 43' ' ' VAL . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.84 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.84 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 59' ' ' PRO . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CB ' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.494 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.868 ' CG1' HD13 ' A' ' 58' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.556 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.945 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 25' ' ' LEU . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.748 HD11 HG21 ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.629 ' HB2' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 35' ' ' ALA . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.748 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.74 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 48' ' ' MET . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.993 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' ILE . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.7 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.868 HD13 ' CG1' ' A' ' 21' ' ' ILE . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.553 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 72' ' ' ARG . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CB ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.676 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' CE2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HD13 ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.801 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.807 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.697 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 43' ' ' VAL . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' VAL . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 52' ' ' VAL . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.54 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 48' ' ' MET . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.801 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HA ' HD11 ' A' ' 21' ' ' ILE . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.648 ' O ' HD12 ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 59' ' ' PRO . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.761 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.659 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.981 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.819 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 31' ' ' ILE . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 27' ' ' VAL . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.563 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 47' ' ' THR . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.897 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 HG21 ' A' ' 43' ' ' VAL . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.897 HG11 HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 52' ' ' VAL . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 10' ' ' ILE . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.689 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 6' ' ' LEU . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 1.064 HD13 HD22 ' A' ' 58' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.5 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.624 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.92 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 40' ' ' LEU . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HA ' HG23 ' A' ' 43' ' ' VAL . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.92 HG11 ' CD1' ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.497 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.89 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.528 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 48' ' ' MET . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' GLY . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.064 HD22 HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 68' ' ' ILE . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.612 ' CB ' HD11 ' A' ' 10' ' ' ILE . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 10' ' ' ILE . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.731 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 18' ' ' GLY . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.809 HD11 HG21 ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 34' ' ' ILE . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.809 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 48' ' ' MET . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.773 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLY . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 21' ' ' ILE . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.89 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 59' ' ' PRO . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -168.67 -169.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.651 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 13' ' ' GLY . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.875 HD11 ' HA ' ' A' ' 55' ' ' VAL . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.846 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 30' ' ' THR . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 31' ' ' ILE . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.8 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.991 ' O ' HG23 ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.991 HG23 ' O ' ' A' ' 43' ' ' VAL . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.777 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' MET . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.846 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.875 ' HA ' HD11 ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.757 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HD13 ' A' ' 68' ' ' ILE . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.532 0.206 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.91 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.637 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CE1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.067 HD13 HD13 ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' ILE . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.619 HG23 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.04 HD11 HG11 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.624 ' HB2' HD23 ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 34' ' ' ILE . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.723 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 48' ' ' MET . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 51' ' ' GLY . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.673 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.067 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 59' ' ' PRO . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.532 0.206 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 176.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.665 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.78 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.937 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.854 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 22' ' ' GLY . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 31' ' ' ILE . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.921 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HG ' ' A' ' 44' ' ' LEU . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.733 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.921 HG11 HD11 ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.591 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 48' ' ' MET . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.78 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.527 0.203 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.93 -169.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 55' ' ' VAL . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.879 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 23' ' ' ASN . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.575 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' SER . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.682 ' CB ' HD13 ' A' ' 40' ' ' LEU . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 35' ' ' ALA . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.743 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.733 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 13' ' ' GLY . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.749 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.454 0.169 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.03 179.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.629 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD11 HG23 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.888 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' ILE . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HA ' HG21 ' A' ' 47' ' ' THR . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.886 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.886 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 47' ' ' THR . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 43' ' ' VAL . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' MET . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 60' ' ' ILE . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 64' ' ' VAL . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' GLY . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' ILE . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' C ' HD13 ' A' ' 68' ' ' ILE . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' HG11 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.485 0.183 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.61 -171.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 1' ' ' MET . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.725 HD22 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.693 HD13 HD13 ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.958 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.806 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.78 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 40' ' ' LEU . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 47' ' ' THR . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' MET . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' HD11 ' A' ' 21' ' ' ILE . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.525 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.867 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -175.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.678 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' ALA . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.721 HD12 HD12 ' A' ' 54' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.77 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.093 HD12 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.787 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.093 HD22 HD12 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 47' ' ' THR . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 43' ' ' VAL . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.818 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 21' ' ' ILE . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.957 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 64' ' ' VAL . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 70' ' ' LEU . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.49 0.186 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.32 -163.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.956 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.965 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.902 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' HA2' ' A' ' 22' ' ' GLY . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HG22 ' A' ' 31' ' ' ILE . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.565 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.961 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 47' ' ' THR . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.902 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' PRO . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.541 0.21 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.74 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.813 HD13 HD13 ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 31' ' ' ILE . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.889 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 48' ' ' MET . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.889 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 21' ' ' ILE . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.492 0.186 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -176.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.566 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 11' ' ' ALA . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HD13 ' A' ' 58' ' ' LEU . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.912 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' ILE . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' HG21 ' A' ' 47' ' ' THR . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.922 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 47' ' ' THR . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' MET . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HA ' HD11 ' A' ' 21' ' ' ILE . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' ILE . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.924 HD13 HD13 ' A' ' 21' ' ' ILE . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.695 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' PRO . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.566 HG21 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.01 -174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.045 HD13 HD13 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.987 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HA ' HG21 ' A' ' 47' ' ' THR . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.034 HD12 HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.843 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD22 HD12 ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' HG23 ' A' ' 47' ' ' THR . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.045 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HB3' HG11 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.509 0.195 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.14 -177.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 1' ' ' MET . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.682 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 10' ' ' ILE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.86 HD13 HD13 ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.568 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.937 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 40' ' ' LEU . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.956 ' O ' HG23 ' A' ' 47' ' ' THR . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.707 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 48' ' ' MET . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.707 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 HD13 ' A' ' 21' ' ' ILE . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' PRO . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.451 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' A' ' 6' ' ' LEU . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 -155.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 54' ' ' LEU . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' HG21 ' A' ' 50' ' ' ILE . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 47' ' ' THR . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.869 ' HB2' HD13 ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 1.027 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 48' ' ' MET . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.027 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 21' ' ' ILE . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.897 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.611 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.726 ' HB2' HD11 ' A' ' 10' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.67 -170.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.874 ' CG1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 31' ' ' ILE . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 34' ' ' ILE . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.965 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 48' ' ' MET . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.965 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.874 HD13 ' CG1' ' A' ' 21' ' ' ILE . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.984 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.49 0.185 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.64 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.89 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.648 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.722 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.714 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 40' ' ' LEU . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' C ' HD22 ' A' ' 40' ' ' LEU . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.749 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 HG13 ' A' ' 21' ' ' ILE . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.694 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 59' ' ' PRO . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' A' ' 6' ' ' LEU . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.908 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.466 0.174 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.4 -151.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.917 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.881 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 23' ' ' ASN . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.584 HG23 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.597 ' CB ' HD23 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.586 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.8 HD12 HG21 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG21 HG21 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.644 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HG13 ' A' ' 21' ' ' ILE . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.917 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' A' ' 6' ' ' LEU . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.526 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.54 -175.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.567 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.571 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.765 HD12 HD12 ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.943 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.585 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 21' ' ' ILE . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 26' ' ' ILE . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 31' ' ' ILE . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.792 HD12 HG11 ' A' ' 43' ' ' VAL . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.775 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.838 HG21 HD23 ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 43' ' ' VAL . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.521 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.765 HD12 HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 59' ' ' PRO . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.567 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CB ' HD11 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.82 -163.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.653 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.83 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.592 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.971 ' O ' HG23 ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.81 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.592 HD21 ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 31' ' ' ILE . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 47' ' ' THR . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.905 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 34' ' ' ILE . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.905 HG12 ' HB2' ' A' ' 35' ' ' ALA . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 43' ' ' VAL . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.575 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.876 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 48' ' ' MET . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.876 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 51' ' ' GLY . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 59' ' ' PRO . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.553 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.683 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -175.64 148.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 2' ' ' SER . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.663 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 26' ' ' ILE . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 31' ' ' ILE . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' VAL . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.648 HG23 HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 1.043 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 43' ' ' VAL . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.043 HG12 ' HB2' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.795 ' O ' HG23 ' A' ' 52' ' ' VAL . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.903 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 48' ' ' MET . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.903 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' GLY . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.632 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 59' ' ' PRO . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' ILE . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.609 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.55 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.514 0.197 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.62 -174.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.687 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.892 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.768 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.573 ' HA ' HG22 ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.804 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG11 HD11 ' A' ' 34' ' ' ILE . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.909 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 48' ' ' MET . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 21' ' ' ILE . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 59' ' ' PRO . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.591 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.508 0.194 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -156.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.737 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' ILE . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.877 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.801 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.778 ' CB ' HD13 ' A' ' 40' ' ' LEU . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.877 ' CD2' HD12 ' A' ' 34' ' ' ILE . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' HG23 ' A' ' 47' ' ' THR . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 43' ' ' VAL . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.828 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 48' ' ' MET . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.828 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 21' ' ' ILE . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.963 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.72 -158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.574 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.885 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.774 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 54' ' ' LEU . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' ILE . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 23' ' ' ASN . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 1.025 HD12 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB3' HD13 ' A' ' 40' ' ' LEU . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 35' ' ' ALA . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' O ' HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.641 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.861 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 48' ' ' MET . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.861 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' PRO . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 10' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -153.25 -164.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.047 HD13 HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.561 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' HA2' ' A' ' 22' ' ' GLY . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 30' ' ' THR . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 23' ' ' ASN . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.455 ' C ' HG22 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.909 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.817 ' HB2' HD23 ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' HD13 ' A' ' 40' ' ' LEU . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 34' ' ' ILE . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' VAL . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.466 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.047 HD13 HD13 ' A' ' 21' ' ' ILE . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 56' ' ' GLU . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.476 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.659 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.503 0.192 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.28 -164.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.055 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.831 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.831 HG22 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.854 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.962 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.854 HD12 ' HA2' ' A' ' 22' ' ' GLY . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 47' ' ' THR . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 43' ' ' VAL . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.963 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 48' ' ' MET . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.963 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 60' ' ' ILE . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' PRO . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.495 0.188 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -167.94 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.88 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' GLY . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.666 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA2' ' A' ' 22' ' ' GLY . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' HA ' HD13 ' A' ' 26' ' ' ILE . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HD22 ' A' ' 40' ' ' LEU . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.855 ' HB2' HD13 ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG12 ' HB2' ' A' ' 35' ' ' ALA . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 43' ' ' VAL . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.84 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.84 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 59' ' ' PRO . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CB ' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.561 0.22 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -162.45 172.37 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.681 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.494 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.868 ' CG1' HD13 ' A' ' 58' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.556 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.945 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 25' ' ' LEU . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.748 HD11 HG21 ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.629 ' HB2' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 35' ' ' ALA . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.748 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.74 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 48' ' ' MET . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.993 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' ILE . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.7 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.868 HD13 ' CG1' ' A' ' 21' ' ' ILE . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.553 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 72' ' ' ARG . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CB ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.46 -176.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.676 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' CE2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HD13 ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.801 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.807 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.697 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 43' ' ' VAL . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' VAL . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 52' ' ' VAL . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.54 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 48' ' ' MET . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.801 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HA ' HD11 ' A' ' 21' ' ' ILE . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.648 ' O ' HD12 ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 59' ' ' PRO . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.538 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.13 -169.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.761 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.659 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.981 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.819 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 31' ' ' ILE . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 27' ' ' VAL . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.563 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 47' ' ' THR . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.897 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 HG21 ' A' ' 43' ' ' VAL . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.897 HG11 HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 52' ' ' VAL . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 10' ' ' ILE . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.73 177.3 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.689 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 6' ' ' LEU . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 1.064 HD13 HD22 ' A' ' 58' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.92 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 40' ' ' LEU . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HA ' HG23 ' A' ' 43' ' ' VAL . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.92 HG11 ' CD1' ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.497 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.89 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.528 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 48' ' ' MET . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' GLY . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.064 HD22 HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 68' ' ' ILE . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.612 ' CB ' HD11 ' A' ' 10' ' ' ILE . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.485 0.184 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -140.39 89.27 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 10' ' ' ILE . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.731 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 18' ' ' GLY . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.809 HD11 HG21 ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 34' ' ' ILE . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.809 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 48' ' ' MET . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.773 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLY . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 21' ' ' ILE . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.89 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 59' ' ' PRO . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.651 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 13' ' ' GLY . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.875 HD11 ' HA ' ' A' ' 55' ' ' VAL . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.846 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 30' ' ' THR . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 31' ' ' ILE . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.8 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.991 ' O ' HG23 ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.991 HG23 ' O ' ' A' ' 43' ' ' VAL . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.777 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' MET . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.846 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.875 ' HA ' HD11 ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.757 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HD13 ' A' ' 68' ' ' ILE . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CE1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.581 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.067 HD13 HD13 ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' ILE . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.619 HG23 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.04 HD11 HG11 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.624 ' HB2' HD23 ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.433 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 34' ' ' ILE . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.723 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 48' ' ' MET . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.723 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 51' ' ' GLY . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.673 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.067 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 59' ' ' PRO . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.527 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.78 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.937 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.854 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 22' ' ' GLY . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 31' ' ' ILE . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.921 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HG ' ' A' ' 44' ' ' LEU . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.733 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.921 HG11 HD11 ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.591 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 48' ' ' MET . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.78 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 55' ' ' VAL . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.879 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 23' ' ' ASN . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.575 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' SER . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.682 ' CB ' HD13 ' A' ' 40' ' ' LEU . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 35' ' ' ALA . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.405 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.743 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.733 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 13' ' ' GLY . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.749 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.629 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.587 HD11 HG23 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.888 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' ILE . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HA ' HG21 ' A' ' 47' ' ' THR . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.886 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.886 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 47' ' ' THR . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 43' ' ' VAL . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' MET . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 60' ' ' ILE . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 64' ' ' VAL . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' GLY . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' ILE . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.6 ' C ' HD13 ' A' ' 68' ' ' ILE . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.725 HD22 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.693 HD13 HD13 ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.958 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.806 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.78 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 40' ' ' LEU . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 47' ' ' THR . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' MET . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' HD11 ' A' ' 21' ' ' ILE . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.525 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.867 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' ALA . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.721 HD12 HD12 ' A' ' 54' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.77 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.609 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.093 HD12 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.787 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.093 HD22 HD12 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 47' ' ' THR . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 43' ' ' VAL . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.818 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 21' ' ' ILE . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.957 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 64' ' ' VAL . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.485 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 70' ' ' LEU . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.647 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.965 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.902 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' HA2' ' A' ' 22' ' ' GLY . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HG22 ' A' ' 31' ' ' ILE . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.565 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.961 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 47' ' ' THR . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.902 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' PRO . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.813 HD13 HD13 ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 31' ' ' ILE . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.889 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 48' ' ' MET . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.889 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 21' ' ' ILE . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.566 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 11' ' ' ALA . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HD13 ' A' ' 58' ' ' LEU . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.912 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' ILE . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' HG21 ' A' ' 47' ' ' THR . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.922 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 47' ' ' THR . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' MET . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HA ' HD11 ' A' ' 21' ' ' ILE . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' ILE . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.924 HD13 HD13 ' A' ' 21' ' ' ILE . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.695 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' PRO . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.566 HG21 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.541 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.045 HD13 HD13 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.987 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.552 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HA ' HG21 ' A' ' 47' ' ' THR . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.034 HD12 HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.843 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.034 HD22 HD12 ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' HG23 ' A' ' 47' ' ' THR . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.045 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 10' ' ' ILE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.86 HD13 HD13 ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.568 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.937 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 40' ' ' LEU . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.956 ' O ' HG23 ' A' ' 47' ' ' THR . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.707 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 48' ' ' MET . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.707 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 HD13 ' A' ' 21' ' ' ILE . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' PRO . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.451 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' A' ' 6' ' ' LEU . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 54' ' ' LEU . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' HG21 ' A' ' 50' ' ' ILE . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 47' ' ' THR . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.869 ' HB2' HD13 ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.869 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 1.027 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 48' ' ' MET . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.027 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 21' ' ' ILE . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.897 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.726 ' HB2' HD11 ' A' ' 10' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.499 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.874 ' CG1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 31' ' ' ILE . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 34' ' ' ILE . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.419 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.965 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 48' ' ' MET . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.965 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.874 HD13 ' CG1' ' A' ' 21' ' ' ILE . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.984 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.64 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.89 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.503 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.648 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.722 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.714 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 40' ' ' LEU . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.608 ' C ' HD22 ' A' ' 40' ' ' LEU . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.749 HD22 ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.597 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 HG13 ' A' ' 21' ' ' ILE . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.694 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 59' ' ' PRO . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' A' ' 6' ' ' LEU . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.908 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.917 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.881 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.536 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 23' ' ' ASN . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.584 HG23 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.597 ' CB ' HD23 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.586 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.8 HD12 HG21 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.411 HG21 HG21 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.644 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HG13 ' A' ' 21' ' ' ILE . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.917 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' A' ' 6' ' ' LEU . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.567 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.571 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.765 HD12 HD12 ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.943 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.585 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 21' ' ' ILE . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 26' ' ' ILE . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 31' ' ' ILE . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.792 HD12 HG11 ' A' ' 43' ' ' VAL . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.775 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.838 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.838 HG21 HD23 ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 43' ' ' VAL . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.521 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.765 HD12 HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 59' ' ' PRO . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.567 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CB ' HD11 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.65 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.83 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.592 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.971 ' O ' HG23 ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.81 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.592 HD21 ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 31' ' ' ILE . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 47' ' ' THR . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.905 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 34' ' ' ILE . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.905 HG12 ' HB2' ' A' ' 35' ' ' ALA . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 43' ' ' VAL . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.575 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.876 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 48' ' ' MET . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.876 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 51' ' ' GLY . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 59' ' ' PRO . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.553 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.683 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 2' ' ' SER . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.663 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 26' ' ' ILE . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 31' ' ' ILE . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' VAL . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.648 HG23 HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 1.043 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 43' ' ' VAL . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.043 HG12 ' HB2' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.795 ' O ' HG23 ' A' ' 52' ' ' VAL . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.903 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 48' ' ' MET . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.903 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' GLY . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.632 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 59' ' ' PRO . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' ILE . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.55 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.687 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.687 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.892 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.768 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.573 ' HA ' HG22 ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.804 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG11 HD11 ' A' ' 34' ' ' ILE . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.909 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 48' ' ' MET . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 21' ' ' ILE . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 59' ' ' PRO . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.591 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.737 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' ILE . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.877 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.801 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.778 ' CB ' HD13 ' A' ' 40' ' ' LEU . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.877 ' CD2' HD12 ' A' ' 34' ' ' ILE . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' HG23 ' A' ' 47' ' ' THR . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 43' ' ' VAL . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.828 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 48' ' ' MET . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.828 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 21' ' ' ILE . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.963 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.574 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.885 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.774 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 54' ' ' LEU . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 23' ' ' ASN . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 1.025 HD12 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB3' HD13 ' A' ' 40' ' ' LEU . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 35' ' ' ALA . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 ' O ' HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.641 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.861 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 48' ' ' MET . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.861 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' PRO . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 10' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.047 HD13 HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.561 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' HA2' ' A' ' 22' ' ' GLY . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 30' ' ' THR . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 23' ' ' ASN . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.455 ' C ' HG22 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.909 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.817 ' HB2' HD23 ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' HD13 ' A' ' 40' ' ' LEU . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 34' ' ' ILE . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' VAL . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.466 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.047 HD13 HD13 ' A' ' 21' ' ' ILE . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 56' ' ' GLU . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.476 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.465 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.659 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.831 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.831 HG22 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.854 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.962 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.854 HD12 ' HA2' ' A' ' 22' ' ' GLY . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 47' ' ' THR . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 43' ' ' VAL . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.963 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 48' ' ' MET . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.963 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 60' ' ' ILE . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' PRO . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.416 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.88 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' GLY . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.666 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA2' ' A' ' 22' ' ' GLY . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HD22 ' A' ' 40' ' ' LEU . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.855 ' HB2' HD13 ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG12 ' HB2' ' A' ' 35' ' ' ALA . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 43' ' ' VAL . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.84 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.84 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 59' ' ' PRO . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CB ' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.494 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.868 ' CG1' HD13 ' A' ' 58' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.556 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.945 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 25' ' ' LEU . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.748 HD11 HG21 ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.629 ' HB2' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 35' ' ' ALA . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.748 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.74 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 48' ' ' MET . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.993 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' ILE . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.7 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.868 HD13 ' CG1' ' A' ' 21' ' ' ILE . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.553 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 72' ' ' ARG . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CB ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.676 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.676 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' CE2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HD13 ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.801 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.807 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.697 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 43' ' ' VAL . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' VAL . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 52' ' ' VAL . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.54 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 48' ' ' MET . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.801 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HA ' HD11 ' A' ' 21' ' ' ILE . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.648 ' O ' HD12 ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 59' ' ' PRO . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.761 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.659 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.981 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.819 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 31' ' ' ILE . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 27' ' ' VAL . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.563 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 47' ' ' THR . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.897 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 HG21 ' A' ' 43' ' ' VAL . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.897 HG11 HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 52' ' ' VAL . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.441 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 10' ' ' ILE . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.689 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 6' ' ' LEU . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 1.064 HD13 HD22 ' A' ' 58' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.5 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.624 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.92 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 40' ' ' LEU . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HA ' HG23 ' A' ' 43' ' ' VAL . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.92 HG11 ' CD1' ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.497 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.89 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.528 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 48' ' ' MET . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' GLY . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.064 HD22 HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 68' ' ' ILE . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.612 ' CB ' HD11 ' A' ' 10' ' ' ILE . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 10' ' ' ILE . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.417 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.731 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 18' ' ' GLY . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.809 HD11 HG21 ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 34' ' ' ILE . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.809 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 48' ' ' MET . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.773 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLY . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 21' ' ' ILE . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.89 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 59' ' ' PRO . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.531 0.205 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t -168.67 -169.31 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -38.13 13.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.459 1.1 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.45 -46.78 91.55 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.8 p -63.35 -34.37 66.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.6 tt -58.27 -51.98 67.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.82 -31.29 66.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.62 -31.99 70.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.81 -30.82 67.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.651 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -50.49 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -23.1 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 13' ' ' GLY . 0.9 OUTLIER -77.48 -52.24 16.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.41 ' N ' HG12 ' A' ' 12' ' ' VAL . . . -57.42 -35.28 71.29 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 tp -73.83 -32.88 63.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 0.789 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.92 -44.74 45.6 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.81 -16.94 61.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.718 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -72.02 -59.66 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.593 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.39 -39.14 51.85 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -68.08 -39.75 82.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.61 -51.16 56.67 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.875 HD11 ' HA ' ' A' ' 55' ' ' VAL . 2.5 tp -54.25 -34.05 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.75 -35.29 55.13 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.581 1.176 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -69.84 -33.19 71.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.846 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.5 -30.64 44.07 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 0.0 111.029 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.6 mt -76.13 -34.89 59.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.461 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.0 mm -66.97 -46.18 85.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.617 ' O ' HG22 ' A' ' 30' ' ' THR . 14.8 p -68.06 -40.24 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.342 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 31' ' ' ILE . 51.4 p -65.12 -29.27 70.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -44.81 80.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 14.9 t -75.01 -31.28 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -67.42 -44.88 86.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.6 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.2 pt-20 -69.46 -26.74 64.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.34 93.19 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.8 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -69.75 -29.71 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -69.2 -21.81 63.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -52.88 -27.89 20.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.55 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.3 mt-30 -64.04 163.22 24.82 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.974 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.416 ' O ' HD13 ' A' ' 40' ' ' LEU . 4.2 tt0 -70.91 -13.55 62.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.282 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -110.76 31.95 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.679 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -64.72 -40.35 47.72 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.679 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.16 18.99 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.991 ' O ' HG23 ' A' ' 47' ' ' THR . 96.9 t -61.37 -28.44 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -46.45 70.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -60.19 -33.67 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.275 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.39 -33.46 65.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.991 HG23 ' O ' ' A' ' 43' ' ' VAL . 15.7 p -75.28 -31.26 60.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.413 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.7 mtt -68.58 -40.81 80.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.92 -33.27 63.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -68.13 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.093 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.777 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.62 -49.84 47.24 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 48' ' ' MET . 9.3 t -60.53 -46.17 95.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.05 -34.0 65.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.846 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.2 OUTLIER -70.07 -30.19 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.875 ' HA ' HD11 ' A' ' 21' ' ' ILE . 25.5 t -71.02 -25.72 26.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' O ' HD12 ' A' ' 60' ' ' ILE . 5.5 mt-10 -72.8 -2.62 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.82 -17.65 29.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.757 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -67.97 -53.91 18.39 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 -37.33 2.1 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.5 mt -58.29 -57.55 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.6 mm -62.1 -42.55 95.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.46 -34.49 42.24 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.512 1.133 . . . . 0.0 111.043 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -73.28 -36.5 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HD13 ' A' ' 68' ' ' ILE . 37.9 t -59.27 -56.31 17.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.31 -47.25 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.17 . . . . 0.0 110.978 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 p -61.2 -41.39 96.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -35.23 77.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.548 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -55.5 -56.17 13.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.542 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.5 t80 -48.41 -49.02 36.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -21.21 4.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.71 20.26 7.38 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.517 0.775 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.532 0.206 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.91 -176.12 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.56 -44.28 12.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.97 -51.73 53.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.43 1.081 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.8 p -57.16 -33.26 42.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.787 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.637 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.1 tt -58.76 -52.43 65.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.7 -31.38 62.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.322 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.4 -30.93 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.76 -28.95 62.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CE1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -78.94 -54.98 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.08 -22.8 29.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.38 -50.3 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.71 -37.29 93.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.5 tp -71.23 -35.9 71.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.2 -45.85 53.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.604 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -70.02 -16.82 63.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 0.739 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.7 OUTLIER -70.68 -58.51 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.581 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.17 -25.55 66.05 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.125 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -73.93 -52.54 12.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.92 -52.59 38.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.471 1.107 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.067 HD13 HD13 ' A' ' 58' ' ' LEU . 1.6 tp -50.9 -28.72 6.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.6 51.47 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.32 -25.0 59.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 0.796 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.602 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -77.77 -31.59 48.76 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.459 1.1 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.9 mt -76.62 -34.58 58.34 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.53 0.782 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.3 mm -64.38 -43.68 97.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.083 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -70.47 -37.23 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 31' ' ' ILE . 53.8 p -66.51 -29.04 69.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -37.2 41.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -70.13 -37.02 75.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.619 HG23 ' CG2' ' A' ' 47' ' ' THR . 3.8 tp -69.83 -37.34 73.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.03 -28.41 67.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.05 -47.33 60.24 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.04 HD11 HG11 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -71.19 -35.78 59.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.515 0.774 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.01 -24.94 63.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -50.46 -48.57 56.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.624 ' HB2' HD23 ' A' ' 40' ' ' LEU . 9.5 mt-30 -45.46 161.49 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -49.83 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.481 1.779 . . . . 0.0 110.962 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.433 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -59.74 -17.56 36.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.624 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.3 OUTLIER -104.28 33.21 3.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.647 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.41 -42.61 85.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.93 -18.65 18.73 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.489 1.783 . . . . 0.0 111.057 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.04 HG11 HD11 ' A' ' 34' ' ' ILE . 91.1 t -62.89 -28.64 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.67 -44.02 69.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -65.03 -34.79 79.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -62.06 -30.81 71.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.455 1.097 . . . . 0.0 110.405 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.683 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.0 p -75.59 -35.02 60.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.37 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.539 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 mtt -63.41 -41.91 98.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -73.74 -32.37 63.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.31 -38.82 78.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.723 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.61 -50.88 62.69 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 48' ' ' MET . 39.8 t -58.73 -52.02 65.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 109.262 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.28 -38.78 63.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.723 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.67 -29.62 69.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 51' ' ' GLY . 53.6 t -74.91 -26.72 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.624 ' O ' HD12 ' A' ' 60' ' ' ILE . 31.1 mt-10 -74.73 -1.73 23.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.673 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.33 -21.39 24.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.067 HD13 HD13 ' A' ' 21' ' ' ILE . 2.8 tp -66.89 -52.83 30.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.94 -33.32 4.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.3 mt -63.25 -55.77 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.673 HD12 ' O ' ' A' ' 57' ' ' ALA . 17.5 mt -61.01 -42.41 92.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.05 -34.27 72.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 59' ' ' PRO . 37.2 t -66.56 -37.97 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.527 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.7 t -60.61 -53.15 52.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.519 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.21 -40.32 46.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.4 -49.77 65.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 109.953 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.99 -37.29 61.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.985 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.529 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.72 -56.24 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -48.78 -45.45 40.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.02 -20.37 16.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.44 22.08 5.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 110.352 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.532 0.206 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.28 176.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.021 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.7 mt -79.54 -37.06 37.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.78 -51.7 44.38 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.461 1.1 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 9.9 p -59.88 -32.34 49.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.665 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -60.28 -52.27 65.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.76 -31.51 62.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -31.86 72.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.26 -30.08 65.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.04 -51.52 17.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.259 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.03 -25.42 58.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.47 -53.57 15.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.35 -37.82 56.12 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.142 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -72.16 -32.84 67.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 0.742 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.96 -51.75 27.35 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -17.63 64.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.731 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.39 -59.61 3.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.41 -50.73 7.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.43 -31.33 65.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.2 -49.02 60.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.78 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -63.85 -30.2 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -72.11 -35.55 60.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.554 1.159 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.937 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.03 -36.39 72.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.854 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -72.59 -32.3 61.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA2' ' A' ' 22' ' ' GLY . 13.0 mt -64.97 -40.63 95.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.835 ' O ' HG23 ' A' ' 30' ' ' THR . 42.7 mm -66.35 -35.87 75.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 23' ' ' ASN . 15.2 t -68.98 -44.1 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 31' ' ' ILE . 59.5 p -63.43 -29.26 70.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -38.91 80.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.835 HG23 ' O ' ' A' ' 26' ' ' ILE . 22.0 p -76.22 -41.7 48.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 47' ' ' THR . 1.4 tp -64.49 -37.06 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 1.9 mt-10 -69.9 -31.89 69.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.99 98.44 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.921 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -69.34 -28.64 39.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.438 0.728 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.591 ' HB1' ' HG ' ' A' ' 44' ' ' LEU . . . -68.56 -11.89 60.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -60.65 -54.76 41.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 42.9 mt-30 -43.64 160.9 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.03 -38.84 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' C ' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -67.15 -20.86 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.733 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -102.6 32.86 3.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.645 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -61.81 -42.66 84.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -19.1 18.34 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.921 HG11 HD11 ' A' ' 34' ' ' ILE . 93.8 t -61.5 -28.56 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.591 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mt -53.6 -46.38 70.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -63.06 -33.23 74.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -32.76 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.38 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.3 p -78.31 -31.09 48.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.403 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.483 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -67.51 -40.64 85.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -74.59 -32.58 62.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.84 -36.29 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.91 -52.17 50.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 48' ' ' MET . 46.4 t -58.43 -51.36 72.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.61 -39.93 62.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.854 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -65.5 -29.9 70.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 109.3 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.442 HG22 HD11 ' A' ' 21' ' ' ILE . 25.4 t -77.81 -26.39 14.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 28.9 mt-10 -72.58 -2.61 20.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.484 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.6 -17.25 30.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.78 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.4 tp -69.28 -53.55 13.16 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 -34.41 3.79 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 56' ' ' GLU . 38.0 mt -63.29 -56.4 17.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.0 mm -59.68 -42.88 90.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.49 -34.71 42.96 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -73.34 -34.37 43.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -62.2 -54.73 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.526 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.67 -45.1 63.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -65.71 -33.04 74.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.34 -35.26 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.65 -50.21 61.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 22.4 t80 -47.32 -48.8 25.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 70' ' ' LEU . 3.8 mm? -52.66 -21.34 3.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 112.94 19.32 6.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.527 0.203 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.93 -169.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.4 mp -94.75 -35.97 11.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.27 -49.46 61.39 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 p -60.89 -28.37 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.25 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.6 tt -62.59 -52.34 63.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.9 -31.5 64.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.34 71.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.28 -30.5 67.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.749 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.65 -54.21 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.8 -23.51 43.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.22 -53.67 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.463 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -52.81 -38.9 54.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.024 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.24 -32.05 64.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 0.731 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.37 -51.72 30.58 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.93 -16.41 62.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 0.774 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.92 -59.87 2.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.65 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.97 -37.0 34.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.62 -36.39 82.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.56 -53.19 43.41 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 55' ' ' VAL . 3.5 tp -51.17 -31.77 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.553 0.796 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.28 -34.37 54.92 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 111.041 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.879 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -69.24 -43.08 74.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.56 -26.23 73.56 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.8 mt -70.12 -35.14 73.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 0.791 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.428 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.9 mm -72.4 -35.41 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 23' ' ' ASN . 6.0 t -72.03 -41.38 68.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.575 ' HA ' HG22 ' A' ' 31' ' ' ILE . 1.2 p -66.9 -29.38 69.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -29.64 61.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -80.37 -47.95 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.411 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.575 HG22 ' HA ' ' A' ' 28' ' ' SER . 1.1 tt -60.72 -41.41 88.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' SER . 5.3 pt-20 -70.46 -30.32 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.26 -55.34 28.83 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.475 1.109 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.964 HD12 HD23 ' A' ' 40' ' ' LEU . 1.7 pp -70.18 -36.74 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.634 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -51.52 -30.79 21.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -47.26 -43.25 21.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.682 ' CB ' HD13 ' A' ' 40' ' ' LEU . 33.0 mt-30 -41.43 162.9 0.12 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -62.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -52.42 -20.09 2.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.964 HD23 HD12 ' A' ' 34' ' ' ILE . 7.2 mp -92.66 33.0 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -60.57 -41.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -20.25 17.18 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.634 HG12 ' HB2' ' A' ' 35' ' ' ALA . 59.1 t -61.06 -26.5 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -53.12 -48.87 67.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -59.31 -27.84 66.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.466 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -66.13 -44.54 83.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.418 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 44' ' ' LEU . 1.8 t -74.59 -30.11 61.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 110.437 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -67.06 -41.34 86.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -75.3 -32.35 60.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.405 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -74.64 -35.75 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.743 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.43 -52.21 53.99 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.38 -48.2 88.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.37 -39.03 60.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.748 HD12 HD12 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -66.64 -32.43 73.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.773 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -72.53 -26.81 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 11.9 mt-10 -73.1 -3.13 24.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.59 -14.79 31.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.733 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.9 tp -71.46 -52.81 8.29 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.534 1.146 . . . . 0.0 109.36 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.1 Cg_endo -75.04 -41.14 0.69 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.78 . . . . 0.0 110.944 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.7 mt -52.11 -57.73 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' ' 13' ' ' GLY . 5.4 mm -60.39 -42.72 91.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -35.12 41.72 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.3 t -73.58 -33.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 54.8 t -63.63 -56.34 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.61 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -50.04 -46.49 53.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -64.17 -39.14 93.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.33 -34.66 78.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.561 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.4 mp -57.41 -56.02 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.749 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -48.56 -44.39 36.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.96 -19.43 12.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.28 23.99 4.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 110.31 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.454 0.169 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.03 179.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.96 -46.58 11.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.29 -50.82 61.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 7.8 p -58.17 -33.99 48.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.562 0.801 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.2 tt -57.84 -52.3 66.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.49 -31.36 63.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.37 -31.61 71.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.629 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.77 -29.86 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.587 HG23 HD11 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -78.43 -54.35 12.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.421 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.28 -23.17 21.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -76.2 -46.05 34.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -65.26 -35.45 91.58 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.587 HD11 HG23 ' A' ' 10' ' ' ILE . 3.9 mt -73.4 -37.46 65.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.16 -53.17 23.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.96 -18.12 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -70.63 -58.56 3.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.32 -24.91 76.42 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.48 -31.36 53.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.24 -41.23 80.23 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.888 ' O ' HD12 ' A' ' 25' ' ' LEU . 1.4 tp -71.09 -34.5 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.92 -38.07 49.45 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.495 1.122 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -74.78 -29.56 61.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.658 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -77.59 -26.98 59.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.568 1.168 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 21' ' ' ILE . 2.4 mt -76.48 -35.09 58.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.5 mm -65.75 -46.09 89.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.406 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.8 p -68.54 -40.99 82.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 31' ' ' ILE . 57.3 p -63.32 -29.71 70.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.07 -26.11 48.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -76.69 -38.93 53.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.652 ' CG1' HG22 ' A' ' 47' ' ' THR . 3.2 tp -69.77 -41.2 79.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HA ' HG21 ' A' ' 47' ' ' THR . 4.0 pt-20 -65.75 -31.1 71.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.57 -46.56 89.79 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.524 1.14 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.628 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -72.65 -27.05 24.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.505 0.768 . . . . 0.0 109.335 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.629 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.88 -12.81 61.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 5.9 mmm180 -56.7 -49.77 74.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.886 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.6 mt-30 -51.51 165.18 0.45 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.484 1.781 . . . . 0.0 110.975 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -56.77 -20.01 20.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.886 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -104.13 31.73 4.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.697 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.19 -39.86 39.6 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.98 -18.6 18.63 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.545 1.813 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.741 ' O ' HG23 ' A' ' 47' ' ' THR . 75.7 t -62.4 -29.11 46.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.23 -44.35 75.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -57.89 -33.38 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -37.32 69.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 43' ' ' VAL . 24.4 p -70.01 -31.08 68.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.404 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 52' ' ' VAL . 9.8 ttt -67.53 -42.68 82.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -74.02 -32.6 63.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -72.04 -38.2 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.716 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -60.33 -48.48 85.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.137 . . . . 0.0 110.98 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 48' ' ' MET . 48.9 t -66.89 -48.4 79.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 0.788 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.65 -37.9 59.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.716 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.31 -32.21 72.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 21' ' ' ILE . 37.2 t -70.66 -26.3 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' O ' HD12 ' A' ' 60' ' ' ILE . 16.8 mt-10 -74.04 -1.71 21.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.25 -14.25 36.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.796 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -75.3 -52.51 3.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.02 -32.26 5.49 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.969 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 ' O ' HG23 ' A' ' 64' ' ' VAL . 14.9 mt -60.63 -56.75 15.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 13' ' ' GLY . 14.7 mm -66.9 -44.52 88.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.01 -36.94 44.16 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 3.1 t -74.3 -31.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 60' ' ' ILE . 70.3 t -64.96 -56.39 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.08 -43.29 73.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 36.9 p -59.27 -38.27 79.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 110.016 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -33.58 68.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 ' CB ' ' A' ' 9' ' ' ALA . 7.2 mm -53.71 -57.09 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.7 t80 -48.48 -45.02 36.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.18 -20.4 6.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.36 21.96 4.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.6 ' C ' HD13 ' A' ' 68' ' ' ILE . 2.2 mmm180 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.535 0.785 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.435 ' N ' HG11 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.485 0.183 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.61 -171.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.045 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.4 mt -91.65 -49.42 6.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.9 -44.95 94.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG11 ' N ' ' A' ' 1' ' ' MET . 8.6 p -60.85 -29.82 46.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.499 0.764 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.725 HD22 HD12 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -63.94 -52.16 61.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.44 -34.1 56.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.78 -31.3 68.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.81 -30.7 64.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.867 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.52 -54.69 11.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -55.64 -23.95 30.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.35 -53.9 16.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.91 55.79 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 110.98 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.6 -34.76 74.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.35 -48.02 40.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.437 1.086 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -68.5 -16.08 63.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 0.797 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -71.49 -58.63 3.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.3 -25.01 66.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.5 1.125 . . . . 0.0 110.947 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.46 -50.93 12.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 0.74 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.22 -51.46 46.71 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.693 HD13 HD13 ' A' ' 58' ' ' LEU . 4.7 tp -50.73 -31.58 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.524 0.779 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.14 -33.87 58.87 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.547 1.154 . . . . 0.0 111.046 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.958 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -67.64 -41.42 83.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.22 -26.46 68.32 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mt -68.13 -37.65 81.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 0.754 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mm -73.02 -34.46 45.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.1 t -69.43 -44.98 79.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.8 p -68.65 -28.69 67.11 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -39.06 72.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.772 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.6 t -78.53 -34.53 47.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.495 HG23 ' CB ' ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.505 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -67.56 -28.64 67.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -65.96 -43.86 92.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.806 HD11 HG11 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -67.01 -28.3 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 0.764 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.594 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -72.5 -12.19 60.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 21.7 mmm180 -55.81 -51.35 67.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.78 ' HB2' HD23 ' A' ' 40' ' ' LEU . 2.2 mt-30 -54.17 163.94 1.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 110.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.12 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.539 1.81 . . . . 0.0 111.034 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 40' ' ' LEU . 10.5 tt0 -62.72 -13.91 38.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.78 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.2 mm? -113.55 32.87 5.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.648 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.1 OUTLIER -61.81 -42.81 85.0 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -19.2 18.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 47' ' ' THR . 85.6 t -61.97 -28.81 45.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -53.69 -45.81 70.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -59.73 -34.4 72.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -34.1 68.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.447 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.941 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.4 p -77.21 -30.89 54.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.627 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.57 -40.97 80.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 111.052 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.65 -32.99 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.85 -35.21 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.15 -51.88 51.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' MET . 13.9 t -58.17 -48.65 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -35.77 69.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.707 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.65 -27.06 66.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.444 ' HA ' HD11 ' A' ' 21' ' ' ILE . 12.9 t -78.11 -26.9 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.525 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.4 mt-10 -74.56 -2.18 24.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.678 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.67 -20.03 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.693 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -66.82 -51.8 36.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.2 Cg_endo -75.01 -33.21 4.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.021 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.411 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -60.15 -55.52 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.678 HD12 ' O ' ' A' ' 57' ' ' ALA . 11.8 mt -61.02 -42.35 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.34 -34.49 63.3 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -38.1 79.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.432 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.8 t -60.17 -56.31 18.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.67 -43.23 47.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.16 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -65.65 -38.09 88.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.026 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.41 -34.03 77.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -58.59 -56.64 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.867 ' HB2' HD11 ' A' ' 10' ' ' ILE . 6.7 t80 -51.25 -44.09 61.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.77 -20.51 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.86 23.06 4.78 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.75 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.485 0.183 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.15 -175.17 0.31 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -88.98 -42.64 11.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.341 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.03 -48.13 78.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.575 1.172 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 p -63.16 -26.18 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.3 tt -65.05 -52.1 57.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.52 67.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -68.11 -31.73 71.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.486 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -71.76 -30.66 65.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.621 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.45 -51.93 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -58.96 -22.71 60.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 8' ' ' ALA . 2.1 t -77.33 -41.7 30.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.7 -35.74 66.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -78.09 -35.26 49.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.491 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -71.63 -46.28 40.3 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.24 -17.35 60.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -68.1 -59.36 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.36 -33.9 47.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.01 -45.35 77.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.92 -53.62 40.92 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.721 HD12 HD12 ' A' ' 54' ' ' LEU . 3.7 tp -51.31 -28.86 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.84 -32.49 61.1 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.635 ' O ' HG12 ' A' ' 27' ' ' VAL . 19.0 t-20 -79.38 -27.4 41.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 0.762 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.77 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.29 -36.46 30.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.5 pp -76.41 -34.14 58.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 0.777 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.7 mm -71.51 -44.49 70.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 23' ' ' ASN . 14.5 p -69.27 -39.48 79.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.3 p -66.13 -29.34 69.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.71 -37.85 76.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 34' ' ' ILE . 82.0 p -78.33 -41.04 34.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HG23 HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -63.61 -45.43 97.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.609 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.6 -26.08 64.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -71.25 -26.71 73.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.093 HD12 HD22 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -78.77 -30.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.787 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.79 -11.44 60.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -49.11 -49.71 40.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -50.4 167.87 0.24 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.0 -58.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.87 -27.17 6.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.246 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.093 HD22 HD12 ' A' ' 34' ' ' ILE . 1.4 mp -98.63 31.58 2.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.708 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 8.1 tpp180 -66.5 -38.84 21.79 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.95 -18.36 18.93 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.909 ' O ' HG23 ' A' ' 47' ' ' THR . 53.1 t -62.89 -28.9 45.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.581 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 8.7 mt -55.32 -43.79 75.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.58 -33.43 69.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -75.18 -34.33 61.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.909 HG23 ' O ' ' A' ' 43' ' ' VAL . 9.9 p -76.82 -31.23 56.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.38 -42.28 83.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.989 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -72.15 -32.63 67.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.8 -32.88 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.5 -52.69 41.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.05 -50.33 80.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.6 -35.1 53.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.818 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.35 -31.4 71.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 21' ' ' ILE . 2.5 t -73.43 -26.61 22.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' O ' HD12 ' A' ' 60' ' ' ILE . 46.2 mt-10 -73.94 -3.25 27.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.29 -13.19 38.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 17' ' ' LEU . 2.4 tp -73.72 -53.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.957 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.97 -34.67 3.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.539 ' O ' HG23 ' A' ' 64' ' ' VAL . 28.5 mt -60.19 -57.01 13.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.83 -44.34 96.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.46 48.69 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.957 HG23 ' O ' ' A' ' 59' ' ' PRO . 85.8 t -72.75 -34.33 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 74.6 t -60.34 -53.65 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.551 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.11 -47.16 65.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.408 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 22.5 p -60.67 -34.97 75.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.01 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.52 -34.36 72.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.6 mp -55.28 -55.9 14.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.485 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.1 t80 -47.29 -47.31 25.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.483 HD13 ' HA ' ' A' ' 70' ' ' LEU . 2.0 mm? -52.4 -21.68 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.63 0.72 7.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.49 0.186 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 p -161.32 -163.95 1.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.956 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.23 -46.72 8.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.75 -51.17 60.6 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 4.2 p -52.07 -35.54 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.633 HD22 HD12 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -59.39 -52.3 66.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.78 -31.7 28.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.45 -31.24 68.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.588 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.55 -30.93 64.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.633 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.31 -49.26 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.9 63.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.14 -46.72 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.17 -30.9 79.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.598 ' CD2' ' CG ' ' A' ' 65' ' ' PHE . 3.6 mm? -71.99 -46.36 57.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 0.765 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.521 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.17 -38.41 87.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.647 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.02 -17.45 60.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -71.89 -58.59 3.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.92 -25.54 69.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.32 -45.9 30.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.37 -48.75 67.66 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 54' ' ' LEU . 5.5 tp -57.58 -26.95 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.495 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.55 -38.97 50.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.965 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -63.84 -39.88 95.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.902 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.17 -26.85 67.44 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.495 HD12 ' HA2' ' A' ' 22' ' ' GLY . 12.7 mt -67.79 -37.22 81.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.5 mm -72.54 -34.95 49.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.965 HG23 ' O ' ' A' ' 23' ' ' ASN . 13.3 t -69.66 -42.47 80.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.256 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.565 ' HA ' HG22 ' A' ' 31' ' ' ILE . 89.8 p -68.33 -28.89 67.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -32.39 59.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -80.5 -37.88 30.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.104 . . . . 0.0 110.427 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.565 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.9 OUTLIER -70.93 -39.55 75.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.8 pt-20 -69.57 -31.13 69.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.45 -44.91 96.02 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.76 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -72.86 -32.02 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 0.738 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.812 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.88 -17.27 64.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 mtp85 -56.05 -56.68 17.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.961 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.5 mt-30 -43.79 163.95 0.16 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -43.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -62.46 -12.38 21.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.961 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -112.35 31.91 5.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.664 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER -62.2 -42.05 78.72 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.96 -20.31 17.07 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.854 ' O ' HG23 ' A' ' 47' ' ' THR . 55.8 t -63.84 -28.49 45.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.68 -43.78 69.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -62.52 -35.92 80.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 110.248 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.93 -32.58 73.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.388 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.854 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.0 p -76.73 -30.91 56.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.371 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.6 mtm -67.69 -42.35 82.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.72 66.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.94 -33.09 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.91 -51.67 53.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.75 -51.5 71.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.405 0.709 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -35.65 57.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.902 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.23 -32.96 74.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.635 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.1 t -71.19 -26.37 27.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.671 ' O ' HD12 ' A' ' 60' ' ' ILE . 24.2 mt-10 -74.83 -0.89 19.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.685 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.03 -20.41 24.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.756 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.6 tp -68.99 -51.69 18.03 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.652 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -33.82 4.3 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.481 1.779 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.9 mt -60.27 -57.11 13.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.685 HD12 ' O ' ' A' ' 57' ' ' ALA . 16.8 mt -60.29 -42.05 89.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.99 -34.51 65.86 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 59' ' ' PRO . 29.4 t -68.0 -37.49 78.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -61.85 -53.42 48.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.598 ' CG ' ' CD2' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.36 -41.18 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.1 m -66.89 -49.5 65.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 110.031 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -52.5 -36.64 55.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -59.64 -52.61 58.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.66 -49.48 27.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 111.004 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.7 mm? -55.47 -19.86 10.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 108.42 17.15 10.92 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 0.746 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 120.541 0.21 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 170.74 -174.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.018 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.42 -34.23 21.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.14 -42.71 94.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.477 1.111 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.24 -30.63 50.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.679 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.0 tt -61.34 -52.04 66.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.33 -32.07 69.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.05 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.251 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.31 -30.06 65.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.41 -50.12 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.61 -22.64 56.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -78.16 -42.72 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.89 -34.96 88.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.24 -38.35 66.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 109.32 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.38 -46.83 46.78 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.433 1.083 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -67.89 -18.13 64.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -70.1 -58.61 3.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.05 -23.7 75.53 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -75.48 -49.15 19.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.62 -55.15 26.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.151 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.813 HD13 HD13 ' A' ' 58' ' ' LEU . 1.9 tp -51.14 -30.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.466 0.745 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.82 -40.32 45.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.526 1.141 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -69.45 -28.06 65.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.69 -29.66 54.56 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.503 1.127 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.0 mt -75.6 -34.67 60.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.5 mm -65.69 -45.44 92.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.5 -42.57 78.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 31' ' ' ILE . 52.1 p -61.18 -30.1 70.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.168 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -77.9 -27.59 49.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -39.71 60.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.659 HG23 ' CG2' ' A' ' 47' ' ' THR . 8.0 tp -71.06 -38.41 71.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -69.39 -26.02 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.94 -46.41 52.38 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.834 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -73.3 -34.28 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -59.1 -17.02 22.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 36' ' ' ARG . 16.4 mtp-105 -55.84 -53.78 52.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.35 158.13 0.21 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -28.3 9.37 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -74.58 -33.76 62.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -92.81 34.06 1.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.4 -40.27 57.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.01 -18.59 18.58 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.473 1.775 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 34' ' ' ILE . 57.6 t -64.0 -27.61 43.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.08 -42.52 65.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -61.61 -35.89 79.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.5 OUTLIER -65.34 -34.69 78.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.383 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.8 p -73.25 -31.75 64.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -63.06 -43.25 99.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -75.07 -33.0 61.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -38.38 79.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.889 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.75 -52.28 51.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.491 1.12 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 48' ' ' MET . 23.8 t -63.21 -48.09 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 0.786 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.56 -38.15 59.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.112 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.889 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.02 -32.15 72.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.571 ' HA ' HD11 ' A' ' 21' ' ' ILE . 72.2 t -69.51 -26.8 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 23.0 mt-10 -74.86 -1.7 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.722 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.16 -21.84 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.813 HD13 HD13 ' A' ' 21' ' ' ILE . 4.0 tp -65.95 -52.14 42.6 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.2 Cg_endo -75.0 -34.06 4.11 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.6 -56.57 16.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.5 mt -61.57 -40.28 85.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.17 -32.37 80.28 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.4 t -70.38 -33.47 54.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -62.61 -53.1 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.545 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.9 -41.81 64.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.2 p -66.88 -32.33 73.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.406 ' CD1' ' HD2' ' A' ' 72' ' ' ARG . 0.1 OUTLIER -71.45 -34.8 70.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.944 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.2 mp -59.68 -53.76 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -47.28 -48.05 24.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -23.2 2.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.86 14.92 7.01 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' HD2' ' CD1' ' A' ' 67' ' ' PHE . 2.0 tmt_? . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 0.785 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.492 0.186 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.57 -176.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.166 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.26 -40.99 18.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -49.65 58.6 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.8 p -56.07 -32.71 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -62.42 -52.27 64.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.84 -31.72 40.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.246 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -70.46 -31.18 68.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.566 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.24 -30.65 65.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.648 HD12 HD22 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.55 -55.34 10.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.603 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -54.33 -24.25 18.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -76.45 -51.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -55.11 -36.15 60.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.541 1.15 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 11' ' ' ALA . 2.6 mt -71.61 -35.5 70.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.27 48.17 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.38 -17.22 63.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.3 tt -69.37 -58.3 4.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.12 -25.38 68.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -74.96 -49.96 18.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.14 -54.72 27.76 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.924 HD13 HD13 ' A' ' 58' ' ' LEU . 1.2 tp -50.38 -34.94 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.38 -32.5 59.87 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.11 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.912 ' O ' HG23 ' A' ' 27' ' ' VAL . 8.2 t-20 -72.28 -34.05 67.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.91 -27.13 63.12 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.2 mt -71.47 -38.35 71.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 26' ' ' ILE . 41.9 mm -70.55 -34.9 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 23' ' ' ASN . 55.7 t -71.33 -49.5 47.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 84.4 p -60.47 -28.67 68.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -35.48 71.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -79.46 -35.86 39.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.522 HG23 HG22 ' A' ' 47' ' ' THR . 1.7 tp -71.09 -40.64 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' HG21 ' A' ' 47' ' ' THR . 6.3 pt-20 -69.81 -29.51 66.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 110.349 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -65.18 -43.96 94.65 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -69.02 -30.82 48.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.656 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -64.09 -25.76 68.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 51.3 mtp180 -47.32 -56.39 6.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.922 ' HB2' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -42.3 162.2 0.15 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.342 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -46.02 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -62.28 -12.86 22.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.922 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.7 mm? -112.54 33.27 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.646 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.7 -42.38 71.48 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.646 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.04 -18.52 18.58 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.512 1.796 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.895 ' O ' HG23 ' A' ' 47' ' ' THR . 57.2 t -62.18 -28.13 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.654 ' HG ' ' HB1' ' A' ' 35' ' ' ALA . 3.6 mt -53.74 -45.97 70.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -60.54 -34.12 73.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.42 -34.31 72.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.504 1.127 . . . . 0.0 110.413 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.3 p -75.53 -31.31 60.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.4 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.509 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -67.99 -42.25 81.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 111.016 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.32 -33.0 67.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.55 -33.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.683 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.03 -52.05 48.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 48' ' ' MET . 15.7 t -61.34 -46.9 95.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.44 -35.0 62.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.683 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -68.41 -31.84 71.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.363 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.519 ' HA ' HD11 ' A' ' 21' ' ' ILE . 13.2 t -71.04 -26.27 27.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.682 ' O ' HD12 ' A' ' 60' ' ' ILE . 13.2 mt-10 -75.53 -0.87 21.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.12 -21.74 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.924 HD13 HD13 ' A' ' 21' ' ' ILE . 3.4 tp -65.65 -52.57 42.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.695 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.06 -35.44 3.09 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.996 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.682 HD12 ' O ' ' A' ' 56' ' ' GLU . 28.8 mt -61.91 -57.63 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.254 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.537 HD13 ' O ' ' A' ' 16' ' ' ALA . 51.9 mt -58.31 -38.16 67.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.438 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -62.78 -32.28 83.14 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.519 1.137 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' PRO . 30.9 t -68.74 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.307 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.3 t -64.17 -54.58 29.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.01 -43.05 40.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.983 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.7 p -67.48 -49.13 64.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -53.03 -35.01 58.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.566 HG21 ' CB ' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -61.02 -50.63 79.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.489 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -47.69 -49.08 28.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.3 mm? -48.4 -24.12 1.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.34 20.27 5.57 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.15 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.297 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.51 0.195 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.01 -174.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.032 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -39.41 20.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.84 -49.74 61.83 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.1 p -60.71 -28.34 42.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.271 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -62.4 -52.1 64.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.3 -31.65 65.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.275 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -32.05 72.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.541 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.27 -30.9 66.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -77.17 -54.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.61 -22.78 24.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -77.4 -42.19 30.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.47 -35.09 86.33 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.481 1.113 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -73.52 -38.65 65.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 0.0 109.295 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.5 -46.81 45.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -69.05 -16.94 63.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 0.775 . . . . 0.0 109.309 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -71.3 -58.69 3.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -74.71 -24.97 70.96 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -49.41 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.11 -54.3 29.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.045 HD13 HD13 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -50.68 -33.85 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.48 -33.41 61.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.987 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -71.81 -38.81 70.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.73 -26.32 67.56 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.8 mt -70.38 -38.52 74.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.756 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.1 mm -70.57 -34.79 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 23' ' ' ASN . 19.9 t -71.63 -44.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 31' ' ' ILE . 14.7 p -67.46 -29.27 68.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -42.06 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.513 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -73.94 -33.31 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.552 HG23 ' CG2' ' A' ' 47' ' ' THR . 1.0 OUTLIER -71.26 -37.67 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.122 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.472 ' HA ' HG21 ' A' ' 47' ' ' THR . 1.8 mt-10 -70.77 -26.44 63.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.459 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -69.39 -44.77 63.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.034 HD12 HD22 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -66.98 -30.68 50.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.843 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -70.42 -11.35 60.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 28.8 mmm180 -58.09 -56.04 27.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.347 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.451 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 2.8 mt-30 -43.47 166.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -53.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.515 1.798 . . . . 0.0 111.045 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -54.18 -22.7 12.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.034 HD22 HD12 ' A' ' 34' ' ' ILE . 1.5 mp -103.58 31.95 4.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.682 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 4.5 tpp180 -64.89 -40.04 43.6 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.682 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.0 -18.99 18.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.481 1.78 . . . . 0.0 111.027 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.865 ' O ' HG23 ' A' ' 47' ' ' THR . 55.1 t -62.75 -27.43 42.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 tp -52.47 -45.62 66.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -62.01 -37.55 85.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.152 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -33.34 75.43 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 110.421 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.865 HG23 ' O ' ' A' ' 43' ' ' VAL . 5.8 p -77.29 -31.2 54.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.722 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.3 ttt -65.07 -41.56 94.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.55 1.156 . . . . 0.0 110.985 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -75.34 -33.04 61.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.07 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.72 -50.76 45.93 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -59.55 -46.23 93.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.99 -36.38 65.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -67.59 -31.17 71.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.462 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.3 t -72.05 -26.75 25.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -75.96 -1.44 25.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.09 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.669 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.19 -21.34 24.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.045 HD13 HD13 ' A' ' 21' ' ' ILE . 4.1 tp -67.89 -52.26 25.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.757 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -30.94 6.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.474 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 13.8 mt -65.21 -55.44 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.6 mt -61.33 -40.35 85.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.07 -32.21 79.51 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.0 t -69.14 -35.11 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.747 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.0 t -62.16 -52.4 60.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -53.51 -40.96 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 p -66.68 -39.38 88.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -34.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -60.96 -54.64 32.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.503 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.9 OUTLIER -51.99 -47.68 64.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -20.03 19.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.01 21.83 7.21 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.757 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HB3' HG11 ' A' ' 5' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.509 0.195 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.14 -177.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.0 -35.82 9.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.41 -50.73 48.05 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 1' ' ' MET . 2.4 p -60.83 -26.18 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.682 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -64.32 -52.08 60.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.71 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.17 -31.75 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 109.303 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.451 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.47 -29.52 64.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.8 -53.28 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.33 -23.84 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -76.85 -53.66 14.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.489 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.87 -39.44 56.07 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.552 1.158 . . . . 0.0 110.996 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 10' ' ' ILE . 2.3 mt -74.24 -30.6 62.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 0.77 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.76 -50.48 35.73 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.09 -16.96 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -65.59 -59.69 3.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.618 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -79.01 -35.53 30.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.79 -27.95 67.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.08 -49.93 11.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.5 1.125 . . . . 0.0 111.03 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.86 HD13 HD13 ' A' ' 58' ' ' LEU . 2.0 tp -51.64 -33.7 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.542 0.79 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.73 -37.68 51.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -62.48 -51.54 67.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 0.773 . . . . 0.0 109.298 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.74 -26.11 73.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.16 -40.81 94.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.1 mm -68.43 -34.79 67.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.3 t -68.22 -48.43 73.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 62.9 p -64.8 -28.88 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -43.54 87.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 34' ' ' ILE . 1.9 t -78.16 -29.25 48.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.568 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.63 -40.47 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 7.0 mt-10 -69.44 -36.14 76.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.12 -48.21 75.6 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.937 HD11 HG11 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -65.04 -29.67 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.544 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -66.61 -18.58 65.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -59.73 -41.26 90.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' HB2' HD22 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -51.47 165.17 0.44 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -63.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.505 1.792 . . . . 0.0 110.954 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 40' ' ' LEU . 36.1 tt0 -52.5 -21.21 3.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.811 HD23 HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -98.99 31.7 2.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.327 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.684 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -65.61 -39.59 33.98 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.684 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -18.27 19.02 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.956 ' O ' HG23 ' A' ' 47' ' ' THR . 95.7 t -60.11 -28.45 41.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -48.6 67.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -59.92 -30.88 69.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -35.55 63.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.383 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.956 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.9 p -74.35 -31.1 62.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.8 ttt -68.42 -40.95 81.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.105 . . . . 0.0 111.013 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -74.19 -32.7 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.13 -34.55 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.707 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.41 -49.69 63.9 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.106 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 48' ' ' MET . 15.0 t -63.14 -47.31 93.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 0.737 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.84 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.707 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -68.23 -32.25 72.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.756 ' HA ' HD11 ' A' ' 21' ' ' ILE . 6.4 t -70.74 -26.03 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -73.01 -1.84 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.73 -15.11 33.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 HD13 ' A' ' 21' ' ' ILE . 5.3 tp -73.93 -52.26 4.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.3 Cg_endo -75.0 -35.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.565 HD12 ' O ' ' A' ' 56' ' ' GLU . 24.9 mt -58.31 -57.62 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 28.7 mm -58.84 -43.04 87.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.77 36.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 59' ' ' PRO . 43.4 t -73.93 -32.29 33.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 0.747 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.407 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.6 t -67.0 -54.62 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.0 -45.02 51.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.402 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 m -64.39 -46.09 84.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -56.19 -34.28 66.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.451 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -55.7 -54.04 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.513 ' HA ' HD21 ' A' ' 6' ' ' LEU . 3.8 t80 -47.6 -49.03 28.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.83 -22.75 2.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.69 14.46 7.39 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.452 1.095 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 tpt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 110.287 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.488 0.185 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 t -168.99 -155.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.976 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.05 -45.98 4.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.3 -51.72 52.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.541 1.15 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -53.72 -30.48 18.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.667 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.8 -52.24 61.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.16 -31.9 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -32.77 70.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -70.4 -30.67 67.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.726 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.8 OUTLIER -78.74 -53.67 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.47 -22.94 22.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.89 -51.74 16.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.28 -36.47 57.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 tp -73.46 -37.3 65.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -65.02 -50.85 55.79 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.54 -16.42 62.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.45 -58.48 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.45 -34.91 49.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.121 . . . . 0.0 111.037 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.42 76.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.76 56.75 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.762 HD13 HD22 ' A' ' 58' ' ' LEU . 1.4 tt -62.41 -33.48 59.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 0.757 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -72.65 -36.5 58.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -75.13 -24.1 57.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -78.74 -28.98 53.73 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 54' ' ' LEU . 3.8 mt -76.34 -35.11 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mm -65.38 -45.81 92.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.18 -40.01 82.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.4 p -64.1 -29.19 70.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.043 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.78 -29.95 58.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -73.35 -43.73 60.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.417 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' HG21 ' A' ' 50' ' ' ILE . 19.1 pt -66.44 -51.96 52.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.481 ' HA ' HG21 ' A' ' 47' ' ' THR . 8.6 pt-20 -57.4 -25.46 59.58 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.53 -32.94 53.77 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.544 1.152 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.2 -28.41 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.23 -13.87 62.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -47.17 -49.61 22.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.869 ' HB2' HD13 ' A' ' 40' ' ' LEU . 16.0 mm-40 -43.08 159.03 0.22 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -44.61 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.789 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.27 -6.41 34.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.869 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.2 mp -113.35 32.6 5.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.689 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp85 -65.49 -39.3 32.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.689 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.04 -17.62 19.31 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . 93.2 t -60.98 -29.96 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -38.82 86.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.355 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -59.57 -31.32 69.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 110.336 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -72.62 -34.66 67.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.423 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.4 p -73.6 -31.05 63.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.406 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 52' ' ' VAL . 2.9 mtt -67.66 -41.97 82.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.55 -31.99 63.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.599 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -75.59 -31.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 1.027 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.76 -52.58 47.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 48' ' ' MET . 16.2 t -57.96 -50.15 78.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.514 0.773 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.31 67.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.027 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -63.6 -26.9 68.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' HA ' ' CD1' ' A' ' 21' ' ' ILE . 5.1 t -82.81 -26.61 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.2 mt-10 -74.17 -1.47 20.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -87.7 -18.85 28.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.762 HD22 HD13 ' A' ' 21' ' ' ILE . 4.7 tp -69.46 -52.78 14.06 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.897 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 -30.94 6.67 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HD12 ' O ' ' A' ' 56' ' ' GLU . 39.6 mt -68.13 -54.73 20.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 2.8 mm -64.35 -41.88 93.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -53.5 -34.33 49.06 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.447 1.092 . . . . 0.0 110.975 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 59' ' ' PRO . 92.4 t -74.17 -34.89 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 0.774 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.9 t -61.24 -56.59 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.611 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.12 -45.99 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 2.3 p -60.71 -37.6 82.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.97 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -34.39 77.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.485 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.4 mp -57.31 -54.76 26.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.726 ' HB2' HD11 ' A' ' 10' ' ' ILE . 9.0 t80 -51.73 -43.14 62.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.33 -19.17 20.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.62 18.97 6.3 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.537 0.786 . . . . 0.0 110.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.475 0.179 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.67 -170.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.99 -39.22 14.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.14 -51.87 51.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -55.79 -32.55 32.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.617 ' CD2' HD12 ' A' ' 10' ' ' ILE . 0.6 OUTLIER -59.67 -52.97 63.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -31.53 53.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.25 -31.04 70.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.07 -29.9 64.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.617 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.96 -51.56 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -58.58 -22.88 57.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.57 -44.07 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.27 -33.09 81.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 ' C ' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -75.01 -39.12 61.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.464 ' N ' HD12 ' A' ' 14' ' ' LEU . . . -70.3 -44.51 59.18 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -72.31 -17.56 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 0.739 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.624 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -69.22 -58.68 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.13 -29.92 57.96 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.01 -51.74 29.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 0.759 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.06 -51.24 47.5 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.874 ' CG1' HD13 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -50.75 -33.29 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.262 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.27 -31.94 63.17 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.538 1.148 . . . . 0.0 111.046 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -77.7 -29.0 51.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 0.735 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.46 -38.53 32.87 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.6 pp -74.92 -33.18 61.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.752 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.528 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -67.48 -44.35 86.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -71.04 -43.04 76.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 31' ' ' ILE . 54.5 p -62.18 -29.6 70.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.049 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -46.63 69.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.579 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.9 OUTLIER -71.78 -26.72 62.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.371 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.596 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.16 -40.95 75.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' HG2' ' CB ' ' A' ' 47' ' ' THR . 0.0 OUTLIER -68.37 -31.16 70.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.28 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -54.22 37.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.44 1.088 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.0 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -58.22 -29.59 37.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' HB2' HG21 ' A' ' 47' ' ' THR . . . -67.2 -22.39 65.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -54.14 -48.22 71.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HB2' ' CD2' ' A' ' 40' ' ' LEU . 3.3 mm-40 -43.13 158.85 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.254 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.86 2.28 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -72.47 -27.25 62.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.735 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -93.06 32.98 1.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.656 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.74 -42.37 82.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -75.07 -19.07 18.05 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.0 HG11 HD11 ' A' ' 34' ' ' ILE . 87.6 t -60.69 -27.82 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.05 -47.88 68.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -60.47 -31.65 70.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 110.296 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -35.23 68.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.399 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.895 HG23 ' O ' ' A' ' 43' ' ' VAL . 7.7 p -74.69 -31.14 61.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.455 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.8 mtt -67.01 -43.54 82.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -71.52 -32.39 68.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.419 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -73.16 -32.03 36.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.965 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.14 -49.98 66.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 48' ' ' MET . 16.8 t -64.99 -47.77 86.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.03 -38.6 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.965 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.02 -32.09 73.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.41 -26.98 22.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.576 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.7 mt-10 -75.83 -0.39 21.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.654 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.91 -22.58 24.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.874 HD13 ' CG1' ' A' ' 21' ' ' ILE . 4.8 tp -67.3 -51.71 32.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.984 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.0 -32.42 5.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 56' ' ' GLU . 14.2 mt -62.67 -55.23 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.654 HD12 ' O ' ' A' ' 57' ' ' ALA . 15.7 mt -60.63 -42.65 92.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.05 -35.76 59.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.7 t -69.27 -36.18 71.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.301 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.519 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.1 t -60.32 -56.29 18.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.437 1.086 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.84 -45.46 59.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -60.32 -46.54 89.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -56.17 -37.85 70.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 111.001 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -57.39 -56.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -48.89 -48.6 42.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.78 -21.95 8.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.56 20.92 6.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 0.748 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.49 0.185 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 37.6 mt -108.99 -40.23 5.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.23 -48.86 79.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 2.8 p -60.6 -33.17 53.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -59.95 -52.07 66.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.66 62.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.91 -31.15 70.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.44 -29.1 63.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.64 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.95 -50.27 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.59 64.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.22 -48.79 24.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -63.15 -34.53 90.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.67 -38.5 73.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 0.78 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.01 -49.18 35.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.19 -17.42 64.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.53 -59.52 2.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.17 -47.33 45.6 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.63 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.39 -43.61 84.9 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.89 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -36.29 70.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.562 0.801 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.503 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -72.35 -32.92 61.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.844 ' O ' HG23 ' A' ' 27' ' ' VAL . 7.8 t-20 -79.53 -25.93 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.274 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.648 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -78.75 -41.07 15.92 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.722 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.2 pp -68.04 -34.51 76.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 0.761 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.722 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -63.14 -48.47 87.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 23' ' ' ASN . 17.2 t -67.52 -38.98 81.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -63.63 -29.01 70.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.003 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -32.63 62.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.808 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -78.38 -41.37 33.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.363 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 HG22 ' A' ' 47' ' ' THR . 0.3 OUTLIER -65.7 -42.67 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HA ' HG21 ' A' ' 47' ' ' THR . 11.7 pt-20 -69.17 -27.13 65.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.18 -32.03 72.32 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 30' ' ' THR . 0.6 OUTLIER -81.71 -32.96 11.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.714 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.83 -20.35 65.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -51.99 -41.9 62.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' CB ' HD23 ' A' ' 40' ' ' LEU . 23.5 mt-30 -55.74 166.34 1.05 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.273 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -51.37 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.538 1.81 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.608 ' C ' HD22 ' A' ' 40' ' ' LEU . 26.1 tt0 -57.77 -18.11 19.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.443 1.09 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.749 HD22 ' N ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -109.82 32.26 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.258 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.69 -41.16 70.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.96 -19.02 18.34 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.955 ' O ' HG23 ' A' ' 47' ' ' THR . 99.1 t -63.63 -28.48 45.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.2 mt -53.94 -43.08 69.53 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.15 -35.93 76.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.26 -31.36 64.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.955 HG23 ' O ' ' A' ' 43' ' ' VAL . 19.8 p -76.71 -31.85 57.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.363 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.0 mtt -68.17 -41.0 82.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.59 -32.8 64.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.481 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -66.28 -39.12 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.99 -52.45 50.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 65.3 t -59.6 -50.74 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.757 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.74 -37.57 59.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.875 HD11 HD13 ' A' ' 21' ' ' ILE . 0.2 OUTLIER -64.49 -30.74 71.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.9 t -76.51 -27.36 17.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.424 1.078 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 33.7 mt-10 -75.44 -1.94 26.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.95 -20.27 23.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.89 HD13 HG13 ' A' ' 21' ' ' ILE . 5.3 tp -65.89 -52.08 43.5 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.694 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -74.99 -40.61 0.85 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.9 mt -53.39 -58.05 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' GLY . 18.6 mm -59.68 -43.43 91.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.89 -35.98 41.06 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 59' ' ' PRO . 93.5 t -73.71 -31.4 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.36 -55.57 16.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -46.96 45.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.967 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 7.9 p -63.98 -49.02 74.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.73 -35.89 44.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.908 HD12 ' O ' ' A' ' 72' ' ' ARG . 0.9 OUTLIER -58.27 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.289 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.536 ' HA ' HD21 ' A' ' 6' ' ' LEU . 12.8 t80 -52.51 -48.96 65.69 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -19.82 8.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.66 6.97 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.908 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 110.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.466 0.174 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.4 -151.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mt -107.16 -42.6 4.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.55 -47.29 88.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.515 1.134 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.0 p -61.29 -30.16 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.684 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.9 tt -61.06 -52.16 66.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.21 -31.73 65.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -30.28 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.917 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -73.27 -27.5 61.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CD1' ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -78.87 -52.53 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.68 -22.89 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.72 -39.24 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -70.55 -33.2 67.46 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.68 -40.21 42.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 109.272 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.21 -41.79 68.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.84 -18.9 60.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.4 -58.86 4.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.7 -35.71 45.15 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.533 1.145 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.27 -43.28 95.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.59 -53.26 47.55 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.881 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.04 -30.17 8.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.771 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.536 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.64 -32.81 58.97 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.487 1.117 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.713 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.7 t-20 -77.41 -28.62 52.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.16 -45.34 15.65 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.612 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 pp -65.21 -34.5 78.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.91 ' O ' HG23 ' A' ' 30' ' ' THR . 1.9 mm -63.17 -43.47 98.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 23' ' ' ASN . 69.6 t -69.86 -41.13 79.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.0 p -60.8 -27.58 68.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.068 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.87 -36.17 56.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 26' ' ' ILE . 19.0 p -72.77 -39.97 66.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.419 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.584 HG23 ' CG2' ' A' ' 47' ' ' THR . 2.8 tp -65.63 -38.44 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -70.37 -26.78 63.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.1 -42.52 91.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.623 HD11 HG11 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -73.95 -29.18 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 0.757 . . . . 0.0 109.322 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.652 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.1 -11.33 60.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -59.09 -40.97 86.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.253 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.597 ' CB ' HD23 ' A' ' 40' ' ' LEU . 7.0 mm100 -55.54 161.87 2.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.85 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.586 ' C ' HD22 ' A' ' 40' ' ' LEU . 30.6 tt0 -69.02 -19.28 64.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.8 HD12 HG21 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -102.16 32.94 3.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.68 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -63.73 -40.61 58.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.68 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -74.99 -18.54 18.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.513 1.797 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 40' ' ' LEU . 74.9 t -62.83 -28.57 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -44.74 67.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -60.3 -36.36 77.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.57 -35.35 80.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.399 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.791 HG23 ' O ' ' A' ' 43' ' ' VAL . 12.4 p -73.28 -33.44 65.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.4 mtt -61.32 -44.75 96.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -71.83 -33.14 68.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.411 HG21 HG21 ' A' ' 31' ' ' ILE . 0.7 OUTLIER -67.93 -33.54 61.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.68 -52.9 38.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.6 t -57.7 -50.67 76.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.539 0.788 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.24 -39.19 63.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -64.03 -27.35 69.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 t -83.63 -26.89 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.0 mt-10 -75.34 -2.55 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.644 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.19 -21.07 23.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.551 1.157 . . . . 0.0 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.881 HD13 HG13 ' A' ' 21' ' ' ILE . 3.1 tp -64.01 -52.04 59.01 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' CD ' ' N ' ' A' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 -37.7 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.555 HD12 ' O ' ' A' ' 56' ' ' GLU . 1.9 mt -56.61 -53.63 38.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.644 HD12 ' O ' ' A' ' 57' ' ' ALA . 13.8 mt -62.89 -42.8 97.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.44 -35.36 61.15 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.8 t -68.43 -38.27 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 0.79 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.7 t -59.53 -50.78 78.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -53.36 -41.9 66.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.9 p -65.42 -48.1 73.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.029 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.25 -33.79 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 110.98 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.917 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -57.53 -51.49 69.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.523 ' HA ' HD21 ' A' ' 6' ' ' LEU . 2.5 t80 -60.35 -49.03 79.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -23.37 1.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 118.7 10.49 8.43 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' HD12 ' A' ' 68' ' ' ILE . 2.4 mpt_? . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 110.278 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.526 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.54 -175.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.968 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -37.65 20.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.72 -48.66 69.96 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 p -61.86 -29.3 46.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.4 tt -60.99 -52.24 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.29 -31.41 67.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.07 -31.66 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.567 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.25 -30.05 65.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.515 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.76 -55.17 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.14 -23.26 13.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.68 -49.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.52 -35.42 72.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tp -72.53 -37.9 68.2 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 0.787 . . . . 0.0 109.254 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.31 -44.47 74.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.571 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.99 -17.18 62.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' N ' HG21 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -71.04 -58.87 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.465 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.46 -24.53 70.34 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.34 -47.29 24.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.34 -54.53 33.7 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.765 HD12 HD12 ' A' ' 54' ' ' LEU . 6.0 tp -50.82 -31.12 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.23 -33.39 59.15 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.564 1.165 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.943 ' O ' HG23 ' A' ' 27' ' ' VAL . 16.5 t-20 -73.12 -34.98 66.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.585 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -74.79 -26.76 66.33 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 21' ' ' ILE . 11.0 mt -75.7 -38.56 58.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.451 HD13 ' HA ' ' A' ' 26' ' ' ILE . 23.1 mm -67.08 -36.26 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.943 HG23 ' O ' ' A' ' 23' ' ' ASN . 22.0 t -75.05 -46.88 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 31' ' ' ILE . 19.9 p -59.87 -29.54 68.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.93 -44.81 68.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.25 -31.19 68.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.384 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -71.41 -36.5 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.98 -26.38 63.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.311 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -67.88 -58.05 8.02 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.792 HD12 HG11 ' A' ' 43' ' ' VAL . 1.6 pp -59.41 -22.41 22.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.821 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -79.66 -10.88 59.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' GLN . 85.7 mtm180 -62.57 -51.75 66.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.775 ' HB2' HD13 ' A' ' 40' ' ' LEU . 1.6 mt-30 -41.86 164.14 0.11 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -53.07 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.527 1.804 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -57.52 -16.23 9.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.838 HD23 HG21 ' A' ' 43' ' ' VAL . 4.6 mp -104.92 32.78 3.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.69 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 10.3 tpp180 -64.54 -39.86 44.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.5 Cg_endo -74.98 -18.12 19.03 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.441 1.758 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.838 HG21 HD23 ' A' ' 40' ' ' LEU . 90.9 t -61.17 -27.74 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.534 1.146 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.53 -43.22 65.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -62.72 -32.73 73.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.76 -32.24 67.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.401 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.829 HG23 ' O ' ' A' ' 43' ' ' VAL . 6.4 p -78.38 -30.79 48.1 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.505 1.128 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -69.6 -39.37 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -32.66 62.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.25 -36.34 55.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.521 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.55 -52.33 51.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.467 1.104 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 66.0 t -60.32 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.53 -36.72 56.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.765 HD12 HD12 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -67.61 -30.72 70.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.694 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.2 t -74.66 -26.37 19.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.668 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.6 mt-10 -72.88 -2.6 21.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.272 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.14 -17.07 31.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.683 HD13 ' HB ' ' A' ' 21' ' ' ILE . 2.5 tp -70.58 -53.4 9.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -74.99 -31.37 6.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.0 -54.89 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.9 mt -62.0 -41.08 89.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.24 -33.69 65.73 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.475 1.11 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 59' ' ' PRO . 6.9 t -69.52 -37.28 74.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 t -60.45 -56.19 19.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 109.265 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' CE1' HG12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.1 -43.8 41.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -65.19 -43.26 92.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -34.08 71.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.567 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -61.42 -55.24 25.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' CB ' HD11 ' A' ' 10' ' ' ILE . 5.8 t80 -47.83 -47.62 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -21.61 16.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.19 25.09 4.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.505 0.193 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.82 -163.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.25 -39.12 9.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -49.85 69.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 8.6 p -60.87 -32.08 51.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 0.77 . . . . 0.0 109.346 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.653 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.6 tt -57.68 -52.32 65.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.21 69.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.35 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -68.05 -30.8 70.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.553 ' HB1' ' CG1' ' A' ' 68' ' ' ILE . . . -72.56 -30.25 64.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -78.37 -54.91 11.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.63 -24.42 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 t -77.28 -41.52 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.74 -33.24 83.67 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.81 -41.77 51.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -68.01 -39.98 88.83 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.459 1.1 . . . . 0.0 111.021 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.65 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -74.87 -19.25 60.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.839 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.58 -59.29 3.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.63 -34.74 53.08 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -64.57 -48.41 75.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.51 -55.08 26.73 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.83 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -51.78 -28.51 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 0.746 . . . . 0.0 109.291 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.592 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.17 -37.31 55.46 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.971 ' O ' HG23 ' A' ' 27' ' ' VAL . 11.0 t30 -73.68 -24.04 59.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.81 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.76 -49.98 7.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.592 HD21 ' HA2' ' A' ' 22' ' ' GLY . 3.5 pp -58.8 -33.9 70.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 25' ' ' LEU . 3.9 mm -67.88 -39.08 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 23' ' ' ASN . 61.7 t -68.52 -47.63 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 31' ' ' ILE . 82.0 p -58.68 -28.94 66.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HA ' ' CG ' ' A' ' 32' ' ' GLU . 0.6 OUTLIER -73.53 -32.07 64.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.306 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.797 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -78.85 -44.64 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.406 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.613 HG22 ' HA ' ' A' ' 28' ' ' SER . 0.7 OUTLIER -67.83 -42.04 85.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.583 ' HA ' HG21 ' A' ' 47' ' ' THR . 2.6 pp20? -67.85 -27.94 67.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.27 -34.46 75.04 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.506 1.128 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.797 HG23 ' O ' ' A' ' 30' ' ' THR . 0.7 OUTLIER -82.32 -27.74 8.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.303 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.905 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -74.21 -14.99 61.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -34.98 71.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.577 ' HB2' HD23 ' A' ' 40' ' ' LEU . 6.8 mt-30 -61.95 169.49 2.69 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.07 -61.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.452 1.764 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -50.15 -23.53 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.7 ' HG ' HD12 ' A' ' 34' ' ' ILE . 1.7 mm? -101.13 32.36 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.2 tpp180 -63.99 -40.46 54.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.06 -18.75 18.35 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.485 1.782 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.905 HG12 ' HB2' ' A' ' 35' ' ' ALA . 69.0 t -62.8 -28.65 45.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -43.78 72.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -61.65 -33.55 74.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -70.61 -32.19 69.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.834 HG23 ' O ' ' A' ' 43' ' ' VAL . 18.0 p -76.58 -30.77 57.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.575 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -68.37 -41.87 80.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -73.05 -32.24 64.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -35.23 49.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.876 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.84 -47.87 87.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.558 1.161 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 48' ' ' MET . 21.1 t -65.03 -49.59 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.71 -39.66 62.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.876 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.81 -29.99 70.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 51' ' ' GLY . 72.8 t -74.27 -26.95 21.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 3.4 mt-10 -75.37 -1.89 25.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.664 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.94 -12.97 46.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 17' ' ' LEU . 1.9 tp -70.81 -54.34 8.02 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.484 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.1 Cg_endo -75.05 -33.9 4.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 7.1 mt -60.98 -57.07 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.664 HD12 ' O ' ' A' ' 57' ' ' ALA . 34.5 mt -58.46 -41.6 82.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 59' ' ' PRO . 4.3 t -67.03 -35.17 73.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 0.766 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.7 t -63.45 -51.31 72.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -65.72 -49.12 69.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.986 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -56.93 -34.1 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 111.056 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.553 ' CG1' ' HB1' ' A' ' 9' ' ' ALA . 1.2 mp -53.87 -55.42 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.501 ' HA ' HD21 ' A' ' 6' ' ' LEU . 6.5 t80 -48.27 -47.98 35.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.64 -19.33 10.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ILE . . . 109.02 23.59 6.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.535 0.785 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.515 0.198 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.683 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.8 OUTLIER -175.64 148.49 0.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -32.27 73.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.44 -51.71 40.74 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 2' ' ' SER . 9.0 p -60.21 -26.37 36.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 0.77 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.7 tt -65.03 -51.85 59.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.51 -31.79 64.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.95 -31.11 69.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.55 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.16 -28.91 63.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.663 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.92 -49.64 19.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -22.76 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -77.71 -44.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.472 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -67.66 -32.72 78.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.1 tp -77.78 -36.09 50.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.786 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -70.58 -45.95 50.39 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.56 1.162 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.44 -17.46 60.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.48 -59.07 3.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.81 -44.66 19.19 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -62.27 -40.3 95.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.65 -51.15 59.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.717 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -57.76 -29.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.343 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.03 -33.14 73.82 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t30 -79.4 -23.44 43.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -79.42 -33.23 35.75 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.0 -34.98 62.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.47 HD13 ' HA ' ' A' ' 26' ' ' ILE . 10.7 mm -69.08 -47.24 76.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.606 ' O ' HG22 ' A' ' 30' ' ' THR . 14.2 p -66.6 -40.52 86.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.401 ' O ' HG22 ' A' ' 31' ' ' ILE . 83.2 p -65.42 -29.79 70.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.999 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.11 -38.73 82.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.606 HG22 ' O ' ' A' ' 27' ' ' VAL . 1.2 t -74.13 -23.47 59.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.648 HG23 HG22 ' A' ' 47' ' ' THR . 0.8 OUTLIER -71.11 -44.47 74.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.72 -25.78 63.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -67.28 -39.5 92.03 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.685 HD12 ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -84.74 -33.25 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 1.043 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -67.81 -10.4 52.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLN . 7.1 mtp180 -65.39 -45.35 84.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.767 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -40.24 161.59 0.1 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -40.19 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.536 1.808 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -72.09 -3.33 22.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.307 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HG21 ' A' ' 43' ' ' VAL . 5.3 mp -120.54 34.18 5.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.91 -40.94 79.09 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.249 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.02 -18.18 18.88 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.043 HG12 ' HB2' ' A' ' 35' ' ' ALA . 90.9 t -64.2 -26.95 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.34 -43.04 64.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -66.88 -36.3 81.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -28.17 67.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.648 HG22 HG23 ' A' ' 31' ' ' ILE . 1.5 p -77.46 -31.27 53.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 110.413 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.795 ' O ' HG23 ' A' ' 52' ' ' VAL . 25.6 mtt -64.94 -40.73 95.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.51 -32.48 60.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.75 -33.42 48.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.903 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -69.15 -38.85 83.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 48' ' ' MET . 30.1 t -70.9 -50.58 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.1 64.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.903 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -64.9 -32.24 73.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 51' ' ' GLY . 55.3 t -74.72 -27.23 20.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.618 ' O ' HD12 ' A' ' 60' ' ' ILE . 25.1 mt-10 -75.74 -2.39 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.4 -14.63 35.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.717 HD13 ' HB ' ' A' ' 21' ' ' ILE . 3.1 tp -73.87 -53.03 4.31 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.632 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -33.68 4.37 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.618 HD12 ' O ' ' A' ' 56' ' ' GLU . 23.6 mt -59.57 -56.6 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 13' ' ' GLY . 10.1 mm -62.15 -43.14 97.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.11 -36.33 43.67 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 59' ' ' PRO . 65.7 t -74.14 -32.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' ILE . 62.4 t -65.39 -56.48 15.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.609 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.08 -47.15 53.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.529 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 10.2 m -61.11 -45.96 92.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.996 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.71 -34.28 69.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.55 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -57.0 -51.75 64.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.8 OUTLIER -56.1 -49.26 74.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 -179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.0 tp -51.18 -22.38 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.77 21.37 6.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.514 0.197 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.62 -174.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.051 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 20.0 mt -86.45 -39.78 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.42 -48.79 83.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.425 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 11.7 p -59.91 -33.91 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.687 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.6 tt -57.98 -52.05 67.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.37 -33.53 65.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -67.19 -33.95 76.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.591 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -68.88 -29.92 68.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.8 OUTLIER -78.32 -55.03 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.19 -22.61 6.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.0 t -79.34 -43.46 23.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.32 -36.68 93.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.84 -38.49 70.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.07 -48.1 49.5 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.489 1.118 . . . . 0.0 111.068 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -67.98 -16.82 64.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 0.752 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.817 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -70.33 -58.25 3.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.19 -24.07 72.33 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' HA ' ' A' ' 16' ' ' ALA . . . -76.26 -49.72 16.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 0.778 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.0 -44.09 83.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.55 1.157 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.892 HG13 HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -63.71 -34.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 0.776 . . . . 0.0 109.303 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 25' ' ' LEU . . . -73.62 -32.4 59.5 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.25 -25.5 46.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.483 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -78.61 -39.85 20.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.768 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.0 pp -69.32 -34.36 74.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.768 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.54 -50.18 80.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.4 p -67.4 -36.94 77.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.573 ' HA ' HG22 ' A' ' 31' ' ' ILE . 12.9 p -63.94 -29.44 70.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -77.23 -29.13 53.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.6 OUTLIER -79.55 -39.88 30.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.402 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.573 HG22 ' HA ' ' A' ' 28' ' ' SER . 9.8 tp -71.36 -40.76 73.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.05 -31.29 69.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.35 -51.54 55.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.804 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -67.36 -32.91 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -60.57 -17.5 46.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.9 mmm-85 -59.88 -41.57 91.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.278 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -52.38 167.33 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.261 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.1 Cg_endo -74.99 -61.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.498 1.789 . . . . 0.0 110.98 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -48.75 -29.48 4.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.589 ' HG ' HD12 ' A' ' 34' ' ' ILE . 0.2 OUTLIER -93.85 31.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.655 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -60.94 -42.06 84.99 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.05 -21.96 15.22 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 110.985 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG11 HD11 ' A' ' 34' ' ' ILE . 95.4 t -59.07 -27.96 37.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.909 ' O ' HG22 ' A' ' 47' ' ' THR . 0.2 OUTLIER -53.76 -50.87 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -56.44 -28.08 58.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.416 ' CG2' HG12 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -66.06 -47.43 74.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.398 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.909 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.2 t -67.23 -29.93 69.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 110.392 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' VAL . 1.0 OUTLIER -63.7 -47.85 79.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.81 -32.97 73.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -72.36 -33.97 47.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.445 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.31 -39.16 97.37 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 48' ' ' MET . 42.4 t -69.38 -52.01 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -53.66 -48.11 69.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -57.26 -32.38 66.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.49 -36.4 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 30.9 mt-10 -76.07 -0.81 23.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -86.31 -10.72 53.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.892 HD13 HG13 ' A' ' 21' ' ' ILE . 2.3 tp -74.63 -53.99 3.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.96 -30.62 7.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 6.0 mt -63.04 -56.9 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 57' ' ' ALA . 25.5 mt -61.29 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -61.37 -32.51 81.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 59' ' ' PRO . 3.0 t -67.97 -36.48 75.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HD13 ' A' ' 68' ' ' ILE . 2.9 t -60.24 -52.13 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.51 ' CD1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -52.38 -41.46 63.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.2 m -67.27 -34.02 76.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -35.3 72.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.591 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -54.58 -53.86 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' HD21 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -52.26 -46.05 65.64 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.64 -21.52 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.82 18.95 6.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.488 0.758 . . . . 0.0 110.316 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mtp . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.508 0.194 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.1 -156.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.994 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.97 -45.25 5.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.61 -51.74 53.88 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.479 1.112 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -56.08 -29.64 27.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.254 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -63.18 -52.18 63.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.83 -31.59 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.338 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.31 -30.73 67.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.29 -30.62 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.632 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.6 OUTLIER -78.89 -54.27 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.88 -22.97 28.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.5 t -79.65 -39.71 20.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.19 -31.18 71.73 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.9 tp -75.39 -40.95 57.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 0.753 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -70.91 -43.46 58.11 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.561 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.88 -18.05 62.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.692 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.72 -58.79 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.75 -25.6 69.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.498 1.124 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.56 -31.39 57.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.87 -55.45 13.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.737 HG13 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -51.84 -29.39 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.61 -32.41 59.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -78.17 -29.11 48.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 0.772 . . . . 0.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.79 -42.29 39.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -67.81 -34.71 77.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 0.76 . . . . 0.0 109.345 179.988 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.668 ' N ' HD12 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -61.79 -42.32 94.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.8 t -72.21 -48.57 48.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' HG22 ' A' ' 31' ' ' ILE . 20.4 p -55.02 -28.27 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.047 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -43.78 63.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.39 -30.48 67.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.422 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.572 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -71.02 -37.9 69.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -69.95 -27.36 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.422 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.23 -48.84 56.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.877 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -67.38 -31.62 53.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.49 0.759 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.801 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -66.27 -11.42 50.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 89.8 mtt180 -60.4 -46.02 91.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.778 ' CB ' HD13 ' A' ' 40' ' ' LEU . 13.3 mt-30 -40.59 161.7 0.11 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -54.16 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -14.41 26.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.877 ' CD2' HD12 ' A' ' 34' ' ' ILE . 6.3 mp -97.59 33.12 2.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.676 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 3.4 tpp180 -62.38 -40.79 69.49 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.676 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.01 -18.94 18.29 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.472 1.775 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.845 ' O ' HG23 ' A' ' 47' ' ' THR . 94.3 t -61.27 -28.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -52.99 -47.12 68.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.321 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -64.61 -34.13 77.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.97 73.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.435 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 43' ' ' VAL . 2.5 p -78.59 -31.99 47.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 110.433 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.3 mtt -64.54 -41.04 96.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.58 -32.82 60.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -70.23 -33.07 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.828 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -66.22 -52.53 35.59 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 48' ' ' MET . 21.7 t -55.04 -52.53 43.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.81 -34.17 52.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.828 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.15 -29.1 68.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 -179.952 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.5 t -77.97 -26.21 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 mt-10 -74.04 -0.63 17.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.305 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.34 -18.5 28.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.737 HD13 HG13 ' A' ' 21' ' ' ILE . 5.9 tp -71.84 -51.51 8.76 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.963 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.04 -31.4 6.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.497 HD12 ' O ' ' A' ' 56' ' ' GLU . 20.4 mt -64.39 -54.93 24.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 19.3 mt -63.24 -42.49 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 109.267 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.76 -34.17 64.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.963 HG23 ' O ' ' A' ' 59' ' ' PRO . 68.1 t -70.09 -34.21 58.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.582 ' O ' HD13 ' A' ' 68' ' ' ILE . 12.3 t -64.47 -54.26 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -48.94 -43.86 40.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.9 p -67.42 -49.27 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.14 -40.39 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.582 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -54.58 -56.53 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.632 ' CB ' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -48.28 -47.53 36.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.971 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.54 -22.44 3.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.53 16.92 6.78 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.46 0.741 . . . . 0.0 110.307 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 mtp . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.72 -158.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.46 -43.83 5.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.49 -51.96 43.73 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.76 -28.31 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 0.802 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.69 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.9 tt -63.9 -52.2 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.23 -33.29 58.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.39 -32.65 73.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.574 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -69.97 -29.64 66.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 69' ' ' TYR . 0.7 OUTLIER -78.71 -54.96 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.95 -27.63 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -73.05 -53.86 17.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -54.19 -37.78 59.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.474 1.109 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 14' ' ' LEU . 2.9 tp -68.33 -35.16 77.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 0.783 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.46 -54.83 9.63 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.45 -17.53 54.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 0.742 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.19 -58.64 3.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.89 -52.39 14.79 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.432 1.082 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -41.71 83.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.47 -46.95 64.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.766 ' HB ' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -68.5 -30.87 48.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -70.37 -33.07 68.21 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.885 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -77.42 -27.17 52.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 0.812 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.774 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.78 -31.29 54.22 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' HG ' HD11 ' A' ' 54' ' ' LEU . 7.7 mt -71.66 -40.99 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 26' ' ' ILE . 18.3 mm -62.45 -40.11 86.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 23' ' ' ASN . 38.3 t -71.04 -47.6 60.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' HA ' HG22 ' A' ' 31' ' ' ILE . 6.6 p -56.17 -28.75 59.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.983 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -77.6 -32.82 53.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.551 1.157 . . . . 0.0 110.331 179.997 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.51 -46.95 52.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.375 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.445 HG23 ' CB ' ' A' ' 47' ' ' THR . 2.5 tp -57.17 -48.96 81.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -63.99 -25.34 68.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -63.43 -40.28 98.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 1.025 HD12 HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -83.86 -34.59 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.809 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -58.52 -16.99 17.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 37' ' ' GLN . 22.9 mtp180 -53.17 -46.38 68.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' HB3' HD13 ' A' ' 40' ' ' LEU . 4.9 mt-30 -41.94 164.4 0.1 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -63.71 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.3 -21.22 2.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 -179.951 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 34' ' ' ILE . 4.0 mp -98.3 32.66 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.691 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.4 tpp180 -64.4 -39.86 45.79 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.691 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.0 -19.46 17.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.532 1.806 . . . . 0.0 111.036 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.809 HG12 ' HB2' ' A' ' 35' ' ' ALA . 72.6 t -58.64 -27.87 35.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 ' O ' HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -53.89 -51.43 63.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -56.39 -28.06 58.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 47' ' ' THR . 0.4 OUTLIER -64.98 -48.62 73.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 110.398 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.752 HG22 ' O ' ' A' ' 44' ' ' LEU . 3.9 t -69.08 -30.77 69.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.641 ' O ' HG23 ' A' ' 52' ' ' VAL . 10.9 mtt -57.28 -45.41 84.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -74.75 -32.61 62.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.21 -39.32 83.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.861 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -62.22 -52.34 50.33 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 48' ' ' MET . 18.4 t -57.22 -50.81 75.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 0.769 . . . . 0.0 109.257 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.84 -39.46 68.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.861 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -63.55 -28.97 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.3 -26.88 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' O ' HD12 ' A' ' 60' ' ' ILE . 4.6 mt-10 -74.0 -2.09 22.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -88.65 -18.1 28.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.766 HD13 ' HB ' ' A' ' 21' ' ' ILE . 4.6 tp -70.27 -52.7 11.62 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.582 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.96 -32.16 5.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.804 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -65.67 -55.27 20.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.487 ' CG1' ' O ' ' A' ' 57' ' ' ALA . 3.7 mm -60.46 -43.14 93.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.22 -36.47 44.95 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.549 1.155 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 59' ' ' PRO . 53.9 t -73.48 -31.43 32.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 0.743 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.1 t -65.39 -55.23 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -50.32 -47.18 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.972 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.46 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 13.5 p -64.05 -44.43 92.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -57.41 -35.55 70.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -54.05 -52.95 32.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 10' ' ' ILE . 73.5 t80 -52.29 -47.69 65.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.06 -21.82 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.242 -179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.2 24.7 4.08 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 110.311 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mtm . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.492 0.187 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -153.25 -164.6 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 -27.01 28.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.0 -51.71 43.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.538 1.149 . . . . 0.0 110.992 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.558 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -56.73 -42.46 77.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.511 ' O ' HD23 ' A' ' 6' ' ' LEU . 0.4 OUTLIER -55.09 -52.16 64.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.03 -31.72 31.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -69.73 -30.44 68.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.577 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.4 -29.14 63.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.248 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.659 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -78.85 -55.28 10.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' N ' HG22 ' A' ' 10' ' ' ILE . . . -53.23 -26.1 16.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -74.6 -53.23 17.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.32 -37.01 47.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -71.97 -34.5 68.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 0.724 . . . . 0.0 109.287 -179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.6 -47.81 47.24 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.5 1.125 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -71.08 -15.93 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 62' ' ' GLY . 1.4 tt -70.05 -59.75 2.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.673 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -77.16 -25.35 64.15 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.459 1.1 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -76.57 -48.86 17.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.52 -48.12 66.65 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.422 1.076 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.047 HD13 HD13 ' A' ' 58' ' ' LEU . 3.7 tp -51.78 -29.7 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.561 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.91 -37.62 50.28 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -63.98 -39.39 94.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.791 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HD22 ' A' ' 54' ' ' LEU . . . -72.9 -26.85 70.12 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.561 HD12 ' HA2' ' A' ' 22' ' ' GLY . 11.8 mt -71.47 -34.74 70.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 0.804 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.644 ' O ' HG22 ' A' ' 30' ' ' THR . 44.0 mm -71.17 -36.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 23' ' ' ASN . 21.9 t -73.68 -40.03 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.455 ' C ' HG22 ' A' ' 31' ' ' ILE . 27.4 p -70.57 -28.23 64.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.72 -51.26 10.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.4 t -58.96 -41.24 87.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.437 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HG22 ' C ' ' A' ' 28' ' ' SER . 1.7 tp -64.02 -39.59 86.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.585 ' HA ' HG21 ' A' ' 47' ' ' THR . 0.1 OUTLIER -66.33 -28.09 68.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.097 . . . . 0.0 110.333 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -69.48 -37.24 78.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.909 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -74.84 -29.56 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 0.783 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.583 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -71.98 -14.93 62.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -52.34 -56.5 14.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.817 ' HB2' HD23 ' A' ' 40' ' ' LEU . 5.0 mt-30 -49.38 163.98 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -41.93 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.797 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.554 ' O ' HD13 ' A' ' 40' ' ' LEU . 18.1 tt0 -61.95 -12.53 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -115.65 32.6 5.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.627 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -61.94 -42.94 85.17 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -75.02 -18.76 18.41 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.909 HG11 HD11 ' A' ' 34' ' ' ILE . 82.7 t -62.5 -28.67 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.329 179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.17 -44.33 71.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.266 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -61.02 -33.6 73.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.225 -179.919 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.05 -35.49 79.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.405 -179.956 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' VAL . 17.5 p -72.85 -32.62 65.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 ttt -65.83 -43.13 89.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -72.64 -32.74 66.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -34.31 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.468 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -61.9 -51.48 56.83 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.482 1.114 . . . . 0.0 110.983 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.03 -48.62 88.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 0.783 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.13 -35.17 64.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.719 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -68.78 -30.28 68.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.466 ' HA ' HD11 ' A' ' 21' ' ' ILE . 24.6 t -72.68 -26.53 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.49 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 10.6 mt-10 -74.59 -2.21 24.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.703 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -87.27 -12.62 46.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.047 HD13 HD13 ' A' ' 21' ' ' ILE . 1.9 tp -74.41 -54.03 3.31 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.649 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -28.5 9.09 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.498 1.789 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.488 HD12 ' O ' ' A' ' 56' ' ' GLU . 12.3 mt -65.36 -54.23 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 57' ' ' ALA . 28.4 mt -62.99 -42.55 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.476 ' N ' HD12 ' A' ' 17' ' ' LEU . . . -55.62 -35.26 61.75 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' PRO . 21.3 t -67.06 -41.01 86.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.465 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.0 t -55.98 -55.98 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.596 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.05 -44.45 41.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 111.045 179.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 m -59.59 -48.48 81.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.008 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.3 -33.72 59.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.155 . . . . 0.0 111.039 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.6 mp -66.14 -56.62 13.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.659 ' CB ' HD11 ' A' ' 10' ' ' ILE . 6.9 t80 -49.13 -48.01 45.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.1 tp -54.83 -19.7 7.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.364 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.19 27.94 4.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 68' ' ' ILE . 1.4 mmm180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.503 0.192 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.28 -164.38 0.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.055 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.44 -38.94 8.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.57 39.64 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -60.26 -27.19 38.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.658 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -64.6 -51.99 59.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.74 -31.5 64.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.99 -32.1 72.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.56 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.46 -29.5 64.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.644 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -78.74 -47.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -23.21 65.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.8 t -78.21 -41.22 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -70.48 -32.91 67.75 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -78.27 -37.09 45.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 0.757 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 19' ' ' ALA . . . -71.29 -45.79 46.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 -179.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.92 -17.6 60.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 0.73 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.41 -58.71 4.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.992 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.831 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -78.48 -46.69 8.65 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.485 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 15' ' ' GLY . . . -60.13 -45.0 94.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.35 -55.44 28.43 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.831 HG22 ' O ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -52.62 -26.84 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.552 0.795 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.854 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -71.21 -37.72 63.4 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.5 1.125 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.962 ' O ' HG23 ' A' ' 27' ' ' VAL . 12.1 t-20 -66.61 -27.21 67.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.781 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -32.15 51.14 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.854 HD12 ' HA2' ' A' ' 22' ' ' GLY . 7.4 mt -68.25 -34.92 77.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.28 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 mm -72.8 -34.96 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 23' ' ' ASN . 46.5 t -71.58 -43.74 71.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.34 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.403 ' O ' HG22 ' A' ' 31' ' ' ILE . 34.6 p -66.26 -28.25 68.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -69.66 -41.74 75.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.656 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.1 t -75.97 -32.14 59.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HG23 HG22 ' A' ' 47' ' ' THR . 1.0 OUTLIER -72.07 -38.63 64.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 109.302 179.989 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -70.32 -26.39 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -67.09 -56.47 12.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 111.058 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.624 ' CD1' HG11 ' A' ' 43' ' ' VAL . 1.2 pp -55.67 -29.89 25.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.753 . . . . 0.0 109.303 179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.668 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -73.93 -16.96 61.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 1.176 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.53 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 18.6 mmm180 -50.13 -56.42 11.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.653 ' HB2' HD13 ' A' ' 40' ' ' LEU . 3.0 mt-30 -42.75 165.99 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.418 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.02 -55.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.489 1.784 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.64 -27.99 8.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD13 ' HB2' ' A' ' 37' ' ' GLN . 3.9 mp -98.79 32.23 2.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.683 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 5.3 tpp180 -65.18 -39.52 36.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.305 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.683 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.08 -17.88 19.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.484 1.781 . . . . 0.0 110.97 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.81 ' O ' HG23 ' A' ' 47' ' ' THR . 85.9 t -62.4 -28.54 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -44.77 68.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -57.89 -35.94 71.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -35.99 73.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.81 HG23 ' O ' ' A' ' 43' ' ' VAL . 16.6 p -72.83 -31.86 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.416 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -65.52 -43.99 88.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -71.16 -32.56 69.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG21 HG21 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -71.47 -32.08 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.963 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -63.66 -52.21 47.78 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 48' ' ' MET . 17.3 t -61.58 -48.62 87.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.5 -38.06 58.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.963 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.29 -32.75 74.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.9 t -74.75 -25.73 19.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.601 ' O ' HD12 ' A' ' 60' ' ' ILE . 7.4 mt-10 -72.45 -1.28 15.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.0 -12.67 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.697 ' O ' HD12 ' A' ' 17' ' ' LEU . 4.2 tp -76.97 -52.24 1.97 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.518 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -74.94 -33.11 4.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.445 1.761 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 56' ' ' GLU . 34.1 mt -62.38 -56.49 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.7 mm -61.86 -41.54 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.26 -34.9 41.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' PRO . 32.4 t -73.38 -35.98 47.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.787 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.23 -56.52 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.47 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.52 -46.87 49.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.993 -179.999 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.0 m -62.59 -34.82 77.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -68.05 -34.56 76.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.972 -179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.56 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -58.59 -54.16 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.557 ' HA ' HD21 ' A' ' 6' ' ' LEU . 8.9 t80 -48.7 -48.19 40.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.44 -19.03 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 108.7 26.09 5.46 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 71' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.495 0.762 . . . . 0.0 110.287 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtm . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.495 0.188 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.01 -167.94 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.88 -39.25 11.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.952 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.87 -50.41 58.37 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.88 -29.45 46.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 6' ' ' LEU . 1.8 tt -61.35 -52.96 62.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.11 -31.11 66.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.16 69.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.416 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -71.5 -30.21 65.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.512 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -79.48 -54.46 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.18 -24.56 18.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -75.25 -53.74 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.426 ' O ' HG22 ' A' ' 61' ' ' ILE . . . -53.33 -37.84 56.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.543 1.152 . . . . 0.0 111.038 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 tp -73.03 -31.24 64.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.23 -52.05 19.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.07 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.2 -16.94 63.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.766 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.3 OUTLIER -67.71 -59.59 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.88 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.14 -46.23 13.61 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.67 75.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.43 -51.53 55.66 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.88 HG22 ' O ' ' A' ' 18' ' ' GLY . 6.3 tp -53.56 -26.24 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 0.774 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.439 ' HA2' HD12 ' A' ' 25' ' ' LEU . . . -73.43 -33.61 58.42 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.463 1.102 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -75.81 -24.11 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.666 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -79.01 -31.0 44.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.123 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD12 ' HA2' ' A' ' 22' ' ' GLY . 5.7 mt -76.35 -34.98 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 0.756 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 HD13 ' HA ' ' A' ' 26' ' ' ILE . 19.4 mm -69.81 -45.43 77.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.488 HG12 ' HA2' ' A' ' 24' ' ' GLY . 14.9 p -68.54 -40.8 82.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.531 ' O ' HG22 ' A' ' 31' ' ' ILE . 82.5 p -65.08 -29.68 70.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.031 179.974 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -45.18 80.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 42.2 p -68.4 -29.59 68.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.389 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.591 HG23 HG22 ' A' ' 47' ' ' THR . 0.7 OUTLIER -66.89 -37.57 79.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -72.67 -28.07 62.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ARG . . . -61.12 -52.54 51.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.64 ' O ' HD22 ' A' ' 40' ' ' LEU . 1.8 pp -69.94 -37.64 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.707 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 33' ' ' GLY . 1.3 mtp180 -47.7 -31.61 4.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 110.318 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.855 ' HB2' HD13 ' A' ' 40' ' ' LEU . 53.1 mm-40 -50.66 160.02 0.83 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.336 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -44.0 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.488 1.783 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -72.48 -3.83 26.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.288 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 37' ' ' GLN . 6.1 mp -116.16 34.04 5.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.653 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -59.62 -41.4 86.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.0 Cg_endo -75.05 -18.47 18.59 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.423 1.749 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG12 ' HB2' ' A' ' 35' ' ' ALA . 64.8 t -65.17 -26.43 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.8 mt -52.06 -41.73 62.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -63.63 -32.93 74.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -32.4 72.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.402 -179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.649 HG23 ' O ' ' A' ' 43' ' ' VAL . 3.5 p -76.69 -31.05 56.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.77 -42.2 82.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.981 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -72.77 -32.73 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.61 -33.89 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.84 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -64.01 -52.47 44.54 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.0 t -62.53 -48.25 89.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.453 0.737 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.43 -37.68 57.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.84 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -67.1 -32.17 73.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.792 ' HA ' HD11 ' A' ' 21' ' ' ILE . 14.4 t -72.85 -26.53 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 43.9 mt-10 -73.83 -1.84 21.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' O ' ' CG1' ' A' ' 61' ' ' ILE . . . -89.41 -13.72 37.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.768 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.0 tp -75.81 -52.36 2.73 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.02 -33.07 4.84 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.466 1.772 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 27.4 mt -61.03 -54.98 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' GLY . 2.9 mm -60.14 -42.64 90.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -52.33 -35.66 43.88 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.43 1.081 . . . . 0.0 110.991 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 59' ' ' PRO . 55.3 t -73.32 -31.88 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 0.778 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.7 t -67.87 -56.05 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -48.5 -43.85 35.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.431 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 4.2 p -64.67 -48.86 73.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.12 . . . . 0.0 110.042 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -34.66 43.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' CB ' ' A' ' 9' ' ' ALA . 1.3 mp -58.97 -53.33 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.506 ' CB ' HD11 ' A' ' 10' ' ' ILE . 7.7 t80 -49.24 -45.08 44.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 70' ' ' LEU . 4.5 mm? -56.98 -18.4 13.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 16.15 9.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.762 . . . . 0.0 110.279 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.561 0.22 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -162.45 172.37 15.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -89.65 -31.7 17.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -48.23 66.92 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.564 1.165 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -64.18 -24.75 36.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.681 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.0 tt -64.64 -52.55 56.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.35 -31.17 68.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.34 -30.87 70.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.494 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.51 -30.93 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.496 HD11 ' CB ' ' A' ' 69' ' ' TYR . 0.5 OUTLIER -77.34 -51.37 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.87 -22.8 59.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.09 -47.21 27.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.71 -31.58 81.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.16 -45.07 61.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 0.763 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.512 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.89 -39.6 89.46 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.468 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.79 -17.87 61.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -70.28 -58.54 3.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -75.54 -29.62 59.48 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.454 1.097 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -70.52 -50.39 38.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -53.79 -46.39 67.72 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.868 ' CG1' HD13 ' A' ' 58' ' ' LEU . 1.2 tp -59.44 -25.6 31.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 0.785 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.556 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.41 -32.86 59.38 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.945 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.9 t30 -77.78 -29.13 50.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -75.51 -47.71 11.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -61.75 -34.51 75.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.577 ' N ' HD12 ' A' ' 25' ' ' LEU . 2.1 mm -62.91 -45.01 99.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.945 HG23 ' O ' ' A' ' 23' ' ' ASN . 16.3 t -67.31 -39.71 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.463 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 85.9 p -64.43 -28.89 69.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.61 -28.28 56.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' CG2' ' N ' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -80.36 -51.43 8.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.414 179.997 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.748 HD11 HG21 ' A' ' 46' ' ' THR . 1.5 tp -56.43 -43.83 78.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 33' ' ' GLY . 0.0 OUTLIER -70.03 -31.29 68.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.329 179.95 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.421 ' N ' ' HG3' ' A' ' 32' ' ' GLU . . . -51.63 -51.65 37.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 0.1 OUTLIER -67.91 -30.51 48.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.52 0.777 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.46 ' N ' HG12 ' A' ' 34' ' ' ILE . . . -64.08 -13.08 44.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -63.16 -24.5 67.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.629 ' HB2' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -82.6 169.57 17.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 41' ' ' ARG . 18.2 Cg_endo -75.01 -54.14 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -50.89 -25.27 4.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.629 HD23 ' HB2' ' A' ' 37' ' ' GLN . 1.1 mm? -102.68 31.63 4.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.659 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 6.5 tpp180 -60.15 -42.27 88.89 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.248 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.659 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.97 -22.68 14.63 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 35' ' ' ALA . 84.1 t -59.77 -27.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.821 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -53.75 -50.09 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.957 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -60.18 -27.95 67.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.748 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.5 -43.24 90.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.821 HG22 ' O ' ' A' ' 44' ' ' LEU . 6.9 t -74.39 -30.56 62.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.441 179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.74 ' O ' HG23 ' A' ' 52' ' ' VAL . 12.2 mtt -63.4 -42.81 98.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.61 -32.99 60.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.01 -32.09 47.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.16 -51.21 46.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 48' ' ' MET . 6.4 t -55.04 -53.35 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.257 -179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 -32.74 67.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.993 ' O ' HD12 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -67.73 -31.31 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.4 t -71.4 -26.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 60' ' ' ILE . 29.1 mt-10 -76.2 -1.16 24.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.259 -179.918 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.7 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.01 -20.35 24.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.868 HD13 ' CG1' ' A' ' 21' ' ' ILE . 3.4 tp -69.23 -52.23 15.92 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.509 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.4 Cg_endo -75.01 -33.48 4.54 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 56' ' ' GLU . 9.2 mt -57.8 -54.55 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.8 mt -63.34 -42.62 97.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.431 1.082 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.69 -35.1 56.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 4.9 t -71.99 -34.39 50.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.553 ' O ' HD13 ' A' ' 68' ' ' ILE . 53.8 t -61.85 -50.71 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -56.01 -43.52 77.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.415 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 1.4 p -61.75 -49.84 74.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.57 -34.94 52.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 72' ' ' ARG . 1.3 mp -59.02 -54.74 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.496 ' CB ' HD11 ' A' ' 10' ' ' ILE . 1.7 t80 -47.32 -48.86 25.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.19 -21.91 3.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.06 20.03 6.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.59 ' O ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.503 0.767 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 ttt . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.488 0.185 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.46 -176.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.37 -32.7 6.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.49 -50.48 59.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.476 1.11 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -59.58 -27.98 38.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.676 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -64.72 -52.15 58.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.39 63.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -31.06 69.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.517 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.12 -30.15 64.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.676 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.6 OUTLIER -78.7 -54.65 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.978 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 14' ' ' LEU . . . -55.61 -24.04 30.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.16 -52.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.98 -37.71 54.09 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.483 1.114 . . . . 0.0 111.035 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 HD21 ' CE2' ' A' ' 65' ' ' PHE . 3.6 mt -72.63 -35.6 67.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.12 -48.08 61.39 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.89 -16.48 62.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.753 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -69.61 -59.05 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.37 -25.78 62.8 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -78.65 -25.45 44.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.04 -45.43 20.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.729 ' HB ' HD13 ' A' ' 58' ' ' LEU . 3.3 tp -58.14 -30.99 40.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -73.74 -32.65 58.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.441 1.088 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -78.57 -28.47 45.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 109.303 -179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.801 ' HA3' HD13 ' A' ' 54' ' ' LEU . . . -76.04 -36.46 40.94 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.136 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.712 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.3 pp -75.15 -34.48 61.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 0.776 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.712 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -62.73 -43.87 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 24' ' ' GLY . 11.8 p -70.03 -38.84 76.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' O ' HG22 ' A' ' 31' ' ' ILE . 4.7 p -63.99 -29.29 70.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.989 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.15 -39.87 68.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 -179.946 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 27' ' ' VAL . 0.8 OUTLIER -75.35 -29.28 59.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 179.984 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.567 HG23 HG22 ' A' ' 47' ' ' THR . 0.0 OUTLIER -69.28 -40.3 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -72.24 -26.67 62.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.507 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -62.3 -56.87 19.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.807 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.6 pp -62.1 -42.49 95.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 0.786 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.579 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -50.51 -23.71 2.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 71.0 mtp180 -49.27 -55.61 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.168 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.697 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -38.09 157.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.269 -179.971 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -40.91 0.74 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.438 1.757 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -67.82 -7.88 31.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.818 HD23 HG21 ' A' ' 43' ' ' VAL . 4.7 mp -116.68 33.84 5.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.67 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.99 -40.56 63.67 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.279 179.986 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.99 -18.53 18.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.818 HG21 HD23 ' A' ' 40' ' ' LEU . 79.1 t -64.63 -27.11 41.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.13 -41.42 60.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -65.37 -42.71 92.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -54.34 -28.05 40.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.416 -179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 43' ' ' VAL . 1.8 p -76.74 -35.5 57.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.416 -179.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.745 ' O ' HG23 ' A' ' 52' ' ' VAL . 7.1 mtt -60.85 -40.19 91.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.24 -32.45 58.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.33 -33.93 60.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.54 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -67.29 -50.02 47.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 48' ' ' MET . 7.9 t -62.29 -49.49 83.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.06 61.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.801 HD13 ' HA3' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.35 -33.14 74.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.461 ' HA ' HD11 ' A' ' 21' ' ' ILE . 40.3 t -70.01 -26.93 30.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.648 ' O ' HD12 ' A' ' 60' ' ' ILE . 39.3 mt-10 -76.58 -0.15 22.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.16 -18.54 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD13 ' HB ' ' A' ' 21' ' ' ILE . 5.7 tp -71.58 -51.43 9.41 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.969 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -74.99 -36.96 2.25 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.648 HD12 ' O ' ' A' ' 56' ' ' GLU . 22.9 mt -56.54 -58.09 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mm -61.15 -43.51 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -53.15 -34.65 47.59 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 59' ' ' PRO . 54.2 t -72.34 -33.86 47.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.513 0.772 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 68' ' ' ILE . 24.9 t -64.79 -55.24 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -49.15 -45.08 43.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.972 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -66.0 -44.68 84.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -57.05 -35.87 69.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.3 mp -56.45 -55.94 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' HD21 ' A' ' 6' ' ' LEU . 10.3 t80 -49.56 -49.58 45.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.42 -19.51 24.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.467 ' O ' ' C ' ' A' ' 72' ' ' ARG . . . 111.49 10.84 18.83 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.566 1.166 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.523 ' CD ' ' C ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 110.309 -179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptt? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.538 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.13 -169.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 mp -93.47 -35.94 12.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.73 -50.65 46.68 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -60.41 -26.0 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.673 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.8 tt -65.36 -52.12 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.54 -31.51 64.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.365 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.09 69.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.761 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -72.1 -29.32 63.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.608 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -79.01 -54.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.93 -24.35 16.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -79.72 -39.82 20.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.433 1.083 . . . . 0.0 109.236 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.58 82.64 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.64 -41.43 54.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 0.766 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -67.56 -44.49 82.6 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.487 1.117 . . . . 0.0 111.044 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.659 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -73.73 -17.86 61.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.33 -58.85 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.1 46.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -67.68 -37.06 81.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.39 -55.12 25.2 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.528 1.143 . . . . 0.0 111.017 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.715 HD13 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -54.62 -27.97 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 0.793 . . . . 0.0 109.244 180.0 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -73.04 -35.93 57.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.981 ' O ' HG23 ' A' ' 27' ' ' VAL . 9.4 t-20 -71.86 -29.4 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 0.787 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.819 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.28 -32.94 50.47 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 21' ' ' ILE . 5.7 mt -69.44 -35.04 75.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 26' ' ' ILE . 22.1 mm -71.32 -34.56 54.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 23' ' ' ASN . 44.7 t -72.2 -49.59 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 31' ' ' ILE . 15.8 p -62.07 -28.83 69.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.988 -179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -48.99 69.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 27' ' ' VAL . 8.9 t -72.29 -29.03 63.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 -179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.563 HG23 ' CG2' ' A' ' 47' ' ' THR . 0.5 OUTLIER -70.99 -37.65 68.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' HG21 ' A' ' 47' ' ' THR . 3.7 mt-10 -70.7 -29.08 65.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.278 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 36' ' ' ARG . . . -64.15 -52.8 41.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.897 HD11 HG11 ' A' ' 43' ' ' VAL . 1.1 pp -56.38 -32.56 36.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.435 ' N ' HG13 ' A' ' 34' ' ' ILE . . . -65.89 -22.11 66.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 33' ' ' GLY . 62.8 mtp180 -51.35 -47.62 62.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 40' ' ' LEU . 59.9 mm-40 -44.37 161.14 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.979 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -52.66 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.49 1.784 . . . . 0.0 111.01 179.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -61.66 -16.57 49.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.705 HD23 HG21 ' A' ' 43' ' ' VAL . 1.5 mp -109.94 32.5 5.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.718 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.3 OUTLIER -66.65 -38.27 18.44 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.97 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -74.94 -17.52 19.64 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.46 1.769 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.897 HG11 HD11 ' A' ' 34' ' ' ILE . 72.9 t -60.87 -27.61 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -52.66 -46.49 67.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -59.91 -34.02 72.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.26 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.92 -35.68 77.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 -179.968 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.796 HG23 ' O ' ' A' ' 43' ' ' VAL . 11.6 p -73.18 -32.12 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 110.415 179.99 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.656 ' O ' HG23 ' A' ' 52' ' ' VAL . 11.7 ttt -63.48 -43.86 96.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -72.96 -32.85 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.441 HG21 HG21 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -70.5 -32.1 48.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -51.3 47.6 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 48' ' ' MET . 6.5 t -56.91 -49.74 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.07 58.51 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.819 HD22 ' C ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -67.6 -32.73 73.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.8 t -71.54 -25.95 25.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.541 ' C ' ' HD2' ' A' ' 59' ' ' PRO . 34.2 mt-10 -74.07 -0.31 16.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -89.24 -17.51 28.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.689 ' O ' HD12 ' A' ' 17' ' ' LEU . 6.6 tp -72.42 -50.92 7.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.3 Cg_endo -75.01 -35.61 3.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.551 1.816 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.435 ' CG1' ' O ' ' A' ' 56' ' ' GLU . 18.6 mt -60.11 -57.37 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 57' ' ' ALA . 31.6 mt -57.87 -40.57 76.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.24 76.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.536 1.147 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.4 t -72.55 -32.52 41.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.49 0.759 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.04 -55.66 22.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -55.63 -42.0 74.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.13 . . . . 0.0 110.967 179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 23.3 m -59.61 -47.1 86.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.032 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -63.04 -34.14 76.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.761 HG21 ' CB ' ' A' ' 9' ' ' ALA . 13.8 mm -56.29 -57.82 7.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 10' ' ' ILE . 22.1 t80 -51.99 -45.41 64.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -19.79 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.24 22.81 5.08 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.73 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.463 0.173 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.73 177.3 11.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.973 -179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.5 mp -102.41 -38.37 7.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.09 -49.5 57.64 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.6 p -59.9 -27.35 38.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.689 ' CD2' HD12 ' A' ' 10' ' ' ILE . 2.7 tt -65.2 -52.47 54.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -31.61 59.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.22 -34.34 72.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.501 ' CB ' HG21 ' A' ' 68' ' ' ILE . . . -67.75 -32.17 72.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.689 HD12 ' CD2' ' A' ' 6' ' ' LEU . 1.1 mt -78.36 -52.17 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.58 -24.22 46.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.74 -53.45 15.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.509 ' O ' ' CG2' ' A' ' 61' ' ' ILE . . . -52.84 -38.66 54.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.125 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 14' ' ' LEU . 3.0 tp -72.39 -33.45 67.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.734 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.04 -53.51 22.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.481 1.113 . . . . 0.0 111.04 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.88 -16.82 64.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 0.789 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.76 -59.66 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -73.82 -39.3 47.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.13 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.03 -28.86 69.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 0.769 . . . . 0.0 109.317 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.47 -49.3 52.03 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 1.064 HD13 HD22 ' A' ' 58' ' ' LEU . 2.7 tt -68.53 -35.54 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.94 -44.42 46.43 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -69.89 -27.24 64.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.5 ' C ' HD22 ' A' ' 54' ' ' LEU . . . -76.03 -29.33 59.02 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.496 1.123 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 21' ' ' ILE . 1.6 mt -73.86 -34.47 64.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 0.785 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 26' ' ' ILE . 11.2 mm -64.5 -48.02 86.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -68.12 -37.64 78.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 26.1 p -65.83 -28.48 69.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.941 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -74.02 -33.29 63.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.59 -43.18 69.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' CD1' HG21 ' A' ' 50' ' ' ILE . 10.3 pt -68.41 -36.97 77.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.07 -24.04 64.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.9 -41.72 10.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.92 ' CD1' HG11 ' A' ' 43' ' ' VAL . 2.5 pp -76.82 -32.55 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.75 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.421 ' HB1' ' N ' ' A' ' 44' ' ' LEU . . . -66.67 -32.53 73.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -48.4 -31.88 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.264 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' HB2' HD13 ' A' ' 40' ' ' LEU . 7.3 mt-30 -59.97 164.92 5.33 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.42 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.474 1.776 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -63.74 -12.61 36.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HA ' HG23 ' A' ' 43' ' ' VAL . 5.5 mp -116.11 31.82 6.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.667 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -62.59 -41.66 74.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.143 . . . . 0.0 110.317 179.963 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.4 Cg_endo -74.98 -18.18 19.0 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.55 1.816 . . . . 0.0 111.049 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.92 HG11 ' CD1' ' A' ' 34' ' ' ILE . 61.5 t -64.81 -28.22 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' N ' ' HB1' ' A' ' 35' ' ' ALA . 0.2 OUTLIER -54.01 -39.73 66.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -62.67 -34.46 77.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -62.22 -32.04 72.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.413 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.497 ' HA ' ' CD1' ' A' ' 31' ' ' ILE . 6.2 p -74.99 -30.84 61.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.365 -179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.89 ' O ' HG23 ' A' ' 52' ' ' VAL . 5.2 mtt -68.63 -42.76 77.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.567 1.167 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -71.85 -32.22 67.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.624 HG21 ' CD1' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -76.13 -33.37 24.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.528 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.54 -33.49 86.48 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.496 1.123 . . . . 0.0 111.016 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 48' ' ' MET . 7.6 t -73.17 -52.12 23.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.97 -48.44 78.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 54' ' ' LEU . 0.3 OUTLIER -59.22 -29.96 67.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.364 179.976 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 51' ' ' GLY . 2.7 t -79.92 -33.92 14.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.656 ' O ' HD12 ' A' ' 60' ' ' ILE . 15.3 mt-10 -76.62 -0.64 24.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.63 -10.53 53.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.064 HD22 HD13 ' A' ' 21' ' ' ILE . 3.6 tp -76.54 -53.95 1.9 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.512 ' HD2' ' C ' ' A' ' 56' ' ' GLU . 18.3 Cg_endo -75.01 -30.9 6.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.51 1.795 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 56' ' ' GLU . 21.9 mt -63.57 -56.59 16.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 13' ' ' GLY . 31.7 mm -61.44 -42.22 92.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.32 -34.76 33.93 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.3 t -74.32 -34.4 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 0.788 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.578 ' O ' HD13 ' A' ' 68' ' ' ILE . 34.1 t -63.91 -56.61 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE1' HG23 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -49.2 -46.85 46.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -62.55 -44.87 95.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.008 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.37 -35.21 69.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.578 HD13 ' O ' ' A' ' 64' ' ' VAL . 1.5 mp -57.33 -56.33 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.612 ' CB ' HD11 ' A' ' 10' ' ' ILE . 9.6 t80 -47.76 -48.45 29.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 70' ' ' LEU . 3.1 mm? -49.43 -23.49 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.13 24.1 4.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.112 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.485 0.184 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -140.39 89.27 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 12.5 mt -115.58 -55.12 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.05 -50.5 66.71 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 8' ' ' ALA . 5.3 p -61.94 -31.16 50.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.9 tt -61.98 -52.25 64.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -32.78 62.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 5' ' ' VAL . . . -66.27 -33.02 74.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 68' ' ' ILE . . . -69.96 -30.85 68.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 HD12 ' CD2' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -76.86 -52.15 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.55 -23.82 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.6 t -77.65 -42.13 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.77 -34.99 89.03 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.444 1.09 . . . . 0.0 110.988 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 HD11 HG23 ' A' ' 10' ' ' ILE . 3.0 mt -75.13 -39.18 60.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' CB ' ' A' ' 19' ' ' ALA . . . -69.1 -43.63 71.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.417 ' C ' HG21 ' A' ' 61' ' ' ILE . . . -73.39 -17.67 61.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 0.771 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -67.91 -59.18 3.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.731 ' O ' HG22 ' A' ' 21' ' ' ILE . . . -76.86 -34.03 44.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.97 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLY . . . -66.23 -49.74 66.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 0.742 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -54.32 -49.81 58.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.731 HG22 ' O ' ' A' ' 18' ' ' GLY . 2.4 tp -51.2 -27.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 25' ' ' LEU . . . -74.06 -34.27 55.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -78.14 -29.01 48.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' HG12 ' A' ' 27' ' ' VAL . . . -76.3 -36.72 38.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.51 1.132 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 ' N ' ' A' ' 26' ' ' ILE . 4.4 pp -76.17 -34.89 59.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.687 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -63.6 -43.19 98.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.758 ' O ' HG22 ' A' ' 31' ' ' ILE . 9.9 p -69.46 -38.12 76.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' ' CG2' ' A' ' 31' ' ' ILE . 25.2 p -65.15 -30.19 71.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 -180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -26.83 49.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 34' ' ' ILE . 0.4 OUTLIER -80.09 -47.43 14.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.394 -179.96 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.809 HD11 HG21 ' A' ' 46' ' ' THR . 2.8 tp -62.12 -42.06 93.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -70.29 -29.21 65.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 110.264 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -40.79 99.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.147 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.764 HD11 HG11 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -79.58 -39.72 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' VAL . . . -49.07 -25.07 1.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 mtp85 -47.7 -48.43 29.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' HB2' HD23 ' A' ' 40' ' ' LEU . 11.5 mm-40 -42.13 162.82 0.14 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -59.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -52.08 -26.34 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD23 ' HB2' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -95.76 33.04 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.666 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -61.59 -41.06 76.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.964 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.666 ' CD ' ' N ' ' A' ' 41' ' ' ARG . 18.3 Cg_endo -75.03 -20.89 16.36 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.759 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.764 HG11 HD11 ' A' ' 34' ' ' ILE . 93.2 t -60.0 -28.4 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.892 ' O ' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -54.59 -48.65 71.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -57.94 -28.25 64.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.809 HG21 HD11 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -65.25 -44.78 87.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 179.987 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 44' ' ' LEU . 10.1 t -71.71 -30.46 65.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.376 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.733 ' O ' HG23 ' A' ' 52' ' ' VAL . 3.8 mtt -61.59 -43.27 99.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.0 -32.95 59.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.929 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.37 -36.44 76.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.773 ' HA2' HD23 ' A' ' 54' ' ' LEU . . . -65.74 -50.58 52.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 48' ' ' MET . 13.5 t -61.39 -38.42 79.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.46 ' O ' ' CG ' ' A' ' 56' ' ' GLU . . . -65.84 -37.04 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.773 HD23 ' HA2' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -66.73 -24.73 66.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 179.993 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 51' ' ' GLY . 97.9 t -70.62 -38.23 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 60' ' ' ILE . 2.6 pt-20 -76.91 1.52 17.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.658 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -88.61 -26.03 22.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.711 HD13 ' CG1' ' A' ' 21' ' ' ILE . 7.7 tp -65.54 -50.27 57.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.89 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.2 Cg_endo -75.02 -35.68 2.98 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.466 1.772 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.59 HD12 ' O ' ' A' ' 56' ' ' GLU . 10.7 mt -56.87 -55.27 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 57' ' ' ALA . 12.4 mt -58.4 -41.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -58.09 -33.85 70.92 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.55 1.156 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 59' ' ' PRO . 64.8 t -67.16 -37.19 78.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 2.5 t -61.21 -54.4 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -49.09 -41.41 35.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 p -65.32 -43.27 91.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.019 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -59.93 -34.16 72.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 1.4 mp -58.71 -55.87 20.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HA ' HD21 ' A' ' 6' ' ' LEU . 1.4 t80 -49.51 -46.93 48.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -21.09 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.55 14.65 8.69 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.525 0.779 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 stop_ save_